기본 정보
- 표준 SMILES
COC(=O)c1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1- InChIKey
CAWRDHULBWMRPM-UHFFFAOYSA-N- 분자식
- C19H28N2O4
- 평균 분자량
- 348.4 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-((4-((tert-butoxycarbonyl)amino)piperidin-1-yl)methyl)benzoate
- IUPAC
- methyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]benzoate
이름 및 동의어
653593-69-2Methyl 4-((4-((tert-butoxycarbonyl)amino)piperidin-1-yl)methyl)benzoateMethyl 4-[4-(tert-butoxycarbonylamino)piperidin-1-yl]methylbenzoateMFCD17014445methyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]benzoatemethyl 4-[(4-[[(tert-butoxy)carbonyl]amino]piperidin-1-yl)methyl]benzoatemethyl 4-[(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)methyl]benzoateSCHEMBL12011091CAWRDHULBWMRPM-UHFFFAOYSA-N4-(4-tert-Butoxycarbonylamino-piperidin-1-ylmethyl)-benzoic acid methyl esterAKOS008754823KS-6168
이름 더 보기
DB-199662F064078Methyl 4-[((4-(boc-amino)piperidin-1-yl)methyl]benzoatemethyl 4-[[4-(tert-butoxycarbonylamino)-1-piperidyl]methyl]benzoateTert-butyl 1-(4-(methoxycarbonyl)benzyl)piperidin-4-ylcarbamateMethyl 4-{[4-(tert-butoxycarbonylamino)piperidin-1-yl]methyl}benzoateMethyl4-((4-((tert-butoxycarbonyl)amino)piperidin-1-yl)methyl)benzoate
데이터베이스 식별자
- PubChem CID
- 53256158
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 67.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 445
관련 반응
1건
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