(3S)-N-benzyl-N-propylpiperidine-3-carboxamide

C16H24N2O — CID 81123216

IUPAC(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H24N2O/c1-2-11-18(13-14-7-4-3-5-8-14)16(19)15-9-6-10-17-12-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3/t15-/m0/s1
InChIKeyWBVGPHMBADHPKS-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds5

About (3S)-N-benzyl-N-propylpiperidine-3-carboxamide

(3S)-N-benzyl-N-propylpiperidine-3-carboxamide (PubChem CID 81123216) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3S)-N-benzyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
PubChem CID81123216
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H24N2O/c1-2-11-18(13-14-7-4-3-5-8-14)16(19)15-9-6-10-17-12-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3/t15-/m0/s1
InChIKeyWBVGPHMBADHPKS-HNNXBMFYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-benzyl-N-propylpiperidine-3-carboxamide 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

N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119316064
N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 68635251
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-N-propylpiperidine-3-carboxamide (CID 81123216) is (3S)-N-benzyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-N-propylpiperidine-3-carboxamide is CCCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-benzyl-N-propylpiperidine-3-carboxamide?
The InChIKey is WBVGPHMBADHPKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-11-18(13-14-7-4-3-5-8-14)16(19)15-9-6-10-17-12-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-propylpiperidine-3-carboxamide?
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 81123216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).