N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide

C15H22ClN3O — CID 63121972

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H22ClN3O/c1-15(7-9-17-10-8-15)14(20)18-12-6-4-5-11(16)13(12)19(2)3/h4-6,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyRRTNMDLYCTZIPN-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.73
Rot. Bonds3

About N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide (PubChem CID 63121972) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide
PubChem CID63121972
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H22ClN3O/c1-15(7-9-17-10-8-15)14(20)18-12-6-4-5-11(16)13(12)19(2)3/h4-6,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyRRTNMDLYCTZIPN-UHFFFAOYSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249432
N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 170264995
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 63121470
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
CID 63121892
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
N-(1H-indazol-4-yl)-4-methylpiperidine-4-carboxamide
CID 55177746
2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 79851030
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide (CID 63121972) is N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)C1(C)CCNCC1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is RRTNMDLYCTZIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-15(7-9-17-10-8-15)14(20)18-12-6-4-5-11(16)13(12)19(2)3/h4-6,17H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).