(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

C17H27N3O — CID 81126278

IUPAC(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C17H27N3O/c1-19(2)11-12-20(14-15-7-4-3-5-8-15)17(21)16-9-6-10-18-13-16/h3-5,7-8,16,18H,6,9-14H2,1-2H3/t16-/m0/s1
InChIKeyCBZFGCHBMZJAGL-INIZCTEOSA-N
MW289.42 g/mol
LogP1.58
Rot. Bonds6

About (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 81126278) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID81126278
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C17H27N3O/c1-19(2)11-12-20(14-15-7-4-3-5-8-15)17(21)16-9-6-10-18-13-16/h3-5,7-8,16,18H,6,9-14H2,1-2H3/t16-/m0/s1
InChIKeyCBZFGCHBMZJAGL-INIZCTEOSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-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

(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
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-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 68635251
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
N-(2-methoxyethyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 119307596

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 81126278) is (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is CBZFGCHBMZJAGL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)11-12-20(14-15-7-4-3-5-8-15)17(21)16-9-6-10-18-13-16/h3-5,7-8,16,18H,6,9-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81126278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).