(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H23Cl3N2O — CID 120640514

IUPAC(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-10-8-12(6-7-19-10)16(21)20-11(2)9-13-14(17)4-3-5-15(13)18;/h3-5,10-12,19H,6-9H2,1-2H3,(H,20,21);1H/t10-,11?,12-;/m0./s1
InChIKeyDYTLVBCGOUDMLI-FLTGHQHWSA-N
MW365.73 g/mol
LogP3.85
Rot. Bonds4

About (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120640514) has the molecular formula C16H23Cl3N2O and a molecular weight of 365.73 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120640514
Molecular FormulaC16H23Cl3N2O
Molecular Weight365.73 g/mol
Exact Mass364.09
IUPAC Name(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-10-8-12(6-7-19-10)16(21)20-11(2)9-13-14(17)4-3-5-15(13)18;/h3-5,10-12,19H,6-9H2,1-2H3,(H,20,21);1H/t10-,11?,12-;/m0./s1
InChIKeyDYTLVBCGOUDMLI-FLTGHQHWSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(2-methylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 106739216
(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623938
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 106740652
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120640514) is (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC(Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DYTLVBCGOUDMLI-FLTGHQHWSA-N. The full InChI is InChI=1S/C16H22Cl2N2O.ClH/c1-10-8-12(6-7-19-10)16(21)20-11(2)9-13-14(17)4-3-5-15(13)18;/h3-5,10-12,19H,6-9H2,1-2H3,(H,20,21);1H/t10-,11?,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 365.73 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).