1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide

C21H32N2O2 — CID 86816799

IUPAC1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCC(CO)CC2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(20(25)22-19-9-7-18(16-24)8-10-19)11-13-23(14-12-21)15-17-5-3-2-4-6-17/h2-6,18-19,24H,7-16H2,1H3,(H,22,25)
InChIKeyMXNOKBNKPXOPFR-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.96
Rot. Bonds5

About 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide

1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide (PubChem CID 86816799) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
PubChem CID86816799
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCC(CO)CC2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(20(25)22-19-9-7-18(16-24)8-10-19)11-13-23(14-12-21)15-17-5-3-2-4-6-17/h2-6,18-19,24H,7-16H2,1H3,(H,22,25)
InChIKeyMXNOKBNKPXOPFR-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide
CID 126805018
1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide
CID 167867825
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 119389165
1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 126839947
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 126801639
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide (CID 86816799) is 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)NC2CCC(CO)CC2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is MXNOKBNKPXOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(20(25)22-19-9-7-18(16-24)8-10-19)11-13-23(14-12-21)15-17-5-3-2-4-6-17/h2-6,18-19,24H,7-16H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide?
1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 86816799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).