(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C16H24Cl2N2O — CID 120621637

IUPAC(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCC(c1ccccc1Cl)N(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11-10-13(8-9-18-11)16(20)19(3)12(2)14-6-4-5-7-15(14)17;/h4-7,11-13,18H,8-10H2,1-3H3;1H/t11-,12?,13-;/m0./s1
InChIKeyGAJYVIWAUADYRQ-YOGGQWRYSA-N
MW331.29 g/mol
LogP3.67
Rot. Bonds3

About (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621637) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621637
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCC(c1ccccc1Cl)N(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11-10-13(8-9-18-11)16(20)19(3)12(2)14-6-4-5-7-15(14)17;/h4-7,11-13,18H,8-10H2,1-3H3;1H/t11-,12?,13-;/m0./s1
InChIKeyGAJYVIWAUADYRQ-YOGGQWRYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride 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

(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120621643
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164109
(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120637228
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
(2S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 120625197
(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120617441
(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120632507
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 120616057
N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739333
(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide
CID 155958747
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120621637) is (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is CC(c1ccccc1Cl)N(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GAJYVIWAUADYRQ-YOGGQWRYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-11-10-13(8-9-18-11)16(20)19(3)12(2)14-6-4-5-7-15(14)17;/h4-7,11-13,18H,8-10H2,1-3H3;1H/t11-,12?,13-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).