(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C15H21Cl3N2O — CID 120623938

IUPAC(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10-9-12(6-7-18-10)15(20)19-8-5-11-3-2-4-13(16)14(11)17;/h2-4,10,12,18H,5-9H2,1H3,(H,19,20);1H/t10-,12-;/m0./s1
InChIKeyLRJDFGMYXVWILH-JGAZGGJJSA-N
MW351.71 g/mol
LogP3.46
Rot. Bonds4

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

(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120623938) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120623938
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10-9-12(6-7-18-10)15(20)19-8-5-11-3-2-4-13(16)14(11)17;/h2-4,10,12,18H,5-9H2,1H3,(H,19,20);1H/t10-,12-;/m0./s1
InChIKeyLRJDFGMYXVWILH-JGAZGGJJSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736254
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
(2S,4S)-N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120639627
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672916
(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637776
(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120617441
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740349
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120623938) is (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LRJDFGMYXVWILH-JGAZGGJJSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-10-9-12(6-7-18-10)15(20)19-8-5-11-3-2-4-13(16)14(11)17;/h2-4,10,12,18H,5-9H2,1H3,(H,19,20);1H/t10-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).