tert-butyl N-((3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamate

HCID 69096668

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1375541-78-8
표준 SMILES: C[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]1c1ccccc1
InChIKey: YNANOAIXRVBLNB-BNOWGMLFSA-N
분자식: C17H24N2O3
평균 분자량: 304.4 g/mol

이름 및 식별자

우선 이름: tert-butyl N-((3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamate
IUPAC: tert-butyl N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl]carbamate
영어명: Carbamic acid, N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-3-piperidinyl]-, 1,1-dimethylethyl ester
분자식: C17H24N2O3
분자량: 304.38

이름 및 동의어

1375541-78-8R4X72USS6Ltert-butyl N-((3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamatetert-butyl N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl]carbamateRefChem:1099585tert-Butyl ((3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamatetert-Butyl [(3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl]carbamateSCHEMBL4567295YNANOAIXRVBLNB-BNOWGMLFSA-Ntert-Butyl[(3S,5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl]carbamate1,1-Dimethylethyl N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-3-piperidinyl]carbamateCarbamic acid, N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-3-piperidinyl]-, 1,1-dimethylethyl ester

이름 더 보기

tert-butyl N-[(3R,5R,6S)-6-methyl-2-oxo-5-phenyl-3-piperidyl]carbamateN-[3S,6S,6R]-6-Methyl-2-oxo-5-phenyl-3-piperidinyl]carbamic acid tert-butyl ester - (SZ-2170)Carbamic acid, N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-3-piperidinyl]-, 1,1-dimethylethyl ester Carbamic acid, N-[(3R,5S,6R)-6-methyl-2-oxo-5-phenyl-3-piperidinyl]-, 1,1-dimethylethyl ester

데이터베이스 식별자

CAS: 1375541-78-8
PubChem CID: 69096668
UNII: R4X72USS6L

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 67.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 411

물리화학적 성질

끓는 점: 501 · 501.0±50.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
산도 계수 (pKa): 10.91 · 10.91±0.60(Predicted)
InChI: InChI=1S/C17H24N2O3/c1-11-13(12-8-6-5-7-9-12)10-14(15(20)18-11)19-16(21)22-17(2,3)4/h5-9,11,13-14H,10H2,1-4H3,(H,18,20)(H,19,21)/t11-,13-,14+/m1/s1
InChIKey: YNANOAIXRVBLNB-BNOWGMLFSA-N
SMILES: C(OC(C)(C)C)(=O)N[C@H]1C[C@@H](C2=CC=CC=C2)[C@@H](C)NC1=O