Benzyl methyl(1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-1-yl)propan-2-yl)carbamate
基本情報
- CAS
886363-02-6- 標準SMILES
CN1CCC(CC(CN2CCCC2)N(C)C(=O)OCc2ccccc2)CC1- InChIKey
RWNSCXSOKSKTEF-UHFFFAOYSA-N- 分子式
- C22H35N3O2
- 平均分子量
- 373.5 g/mol
- 単同位体質量
- 373.27292737
名称と識別子
- 優先名称
- Benzyl methyl(1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-1-yl)propan-2-yl)carbamate
- IUPAC
- benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
- 英語名
- 1-Pyrrolidin-2-(N-Cbz-N-methyl)amino-3-(4'-N-methyl)piperidine-propane
- 分子式
- C22H35N3O2
- 分子量
- 373.53
名称と別名
886363-02-61-Pyrrolidin-2-(N-Cbz-N-methyl)amino-3-(4'-N-methyl)piperidine-propaneBenzyl methyl(1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-1-yl)propan-2-yl)carbamateMFCD03426438benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamateMETHYL-[1-(1-METHYL-PIPERIDIN-4-YLMETHYL)-2-PYRROLIDIN-1-YL-ETHYL]-CARBAMIC ACID BENZYL ESTERBenzylmethyl(1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-1-yl)propan-2-yl)carbamateBenzyl methyl[1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-1-yl)propan-2-yl]carbamateDTXSID10377770AKOS027327759AB14948AS-41087
名称をさらに表示
Methyl-[1-(1-Methyl-piperidin-4-ylMethyl)-2-pyrrolidin-1-yl-ethyl]-carbaMic acidCarbamic acid, methyl[1-[(1-methyl-4-piperidinyl)methyl]-2-(1-pyrrolidinyl)ethyl]-, phenylmethyl ester (9CI)
CS-0172441F011873benzyl N-methyl-N-[1-[(1-methyl-4-piperidyl)methyl]-2-pyrrolidin-1-yl-ethyl]carbamate
データベース識別子
- CAS
886363-02-6- PubChem CID
- 2769576
- DTXSID
DTXSID10377770
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 36 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 439
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