(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C15H21Cl3N2O — CID 120617441

IUPAC(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10-8-11(6-7-18-10)15(20)19(2)9-12-4-3-5-13(16)14(12)17;/h3-5,10-11,18H,6-9H2,1-2H3;1H/t10-,11-;/m0./s1
InChIKeyXADYRGGVTKBVHT-ACMTZBLWSA-N
MW351.71 g/mol
LogP3.76
Rot. Bonds3

About (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120617441) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120617441
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10-8-11(6-7-18-10)15(20)19(2)9-12-4-3-5-13(16)14(12)17;/h3-5,10-11,18H,6-9H2,1-2H3;1H/t10-,11-;/m0./s1
InChIKeyXADYRGGVTKBVHT-ACMTZBLWSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623938
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446
(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629624
(2S,4S)-N-(1-benzothiophen-3-ylmethyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120620566
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621637
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120617441) is (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XADYRGGVTKBVHT-ACMTZBLWSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-10-8-11(6-7-18-10)15(20)19(2)9-12-4-3-5-13(16)14(12)17;/h3-5,10-11,18H,6-9H2,1-2H3;1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).