benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate

C16H23N3O3 — CID 59739755

IUPACbenzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate
SMILESCCN1CC[C@@H](CN)[C@@H](NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C16H23N3O3/c1-2-19-9-8-13(10-17)14(15(19)20)18-16(21)22-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,17H2,1H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyFUIITYBMTCKOCD-UONOGXRCSA-N
MW305.38 g/mol
LogP1.11
Rot. Bonds5

About benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate

benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate (PubChem CID 59739755) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate
PubChem CID59739755
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate
SMILESCCN1CC[C@@H](CN)[C@@H](NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C16H23N3O3/c1-2-19-9-8-13(10-17)14(15(19)20)18-16(21)22-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,17H2,1H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyFUIITYBMTCKOCD-UONOGXRCSA-N
XLogP1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(3R,6S,7R,8aR)-7-(aminomethyl)-3-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
CID 59739774
tert-butyl 2-[(3R,4S)-4-cyano-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 101271377
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
ethyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]oxyacetate
CID 101191342
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 11290557
N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide
CID 53488379

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate (CID 59739755) is benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate is CCN1CC[C@@H](CN)[C@@H](NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate?
The InChIKey is FUIITYBMTCKOCD-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-19-9-8-13(10-17)14(15(19)20)18-16(21)22-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,17H2,1H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate?
benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 59739755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).