N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C23H35N3O2 — CID 110279185

IUPACN-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C2C(C(=O)NC3CCCCC3CN(C)C)CCC(=O)N2C)cc1
InChIInChI=1S/C23H35N3O2/c1-16-9-11-17(12-10-16)22-19(13-14-21(27)26(22)4)23(28)24-20-8-6-5-7-18(20)15-25(2)3/h9-12,18-20,22H,5-8,13-15H2,1-4H3,(H,24,28)
InChIKeyVLSAZYRPBBLYOI-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.14
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 110279185) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID110279185
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C2C(C(=O)NC3CCCCC3CN(C)C)CCC(=O)N2C)cc1
InChIInChI=1S/C23H35N3O2/c1-16-9-11-17(12-10-16)22-19(13-14-21(27)26(22)4)23(28)24-20-8-6-5-7-18(20)15-25(2)3/h9-12,18-20,22H,5-8,13-15H2,1-4H3,(H,24,28)
InChIKeyVLSAZYRPBBLYOI-UHFFFAOYSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 56730975
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
CID 95738407
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110281578
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 95738404
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91948689
N-cyclopropyl-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 171143816

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 110279185) is N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(C2C(C(=O)NC3CCCCC3CN(C)C)CCC(=O)N2C)cc1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is VLSAZYRPBBLYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-16-9-11-17(12-10-16)22-19(13-14-21(27)26(22)4)23(28)24-20-8-6-5-7-18(20)15-25(2)3/h9-12,18-20,22H,5-8,13-15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110279185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).