N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide

C14H26N2O2 — CID 65119800

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2CCCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-11-4-2-6-14(18,8-11)10-16-13(17)12-5-3-7-15-9-12/h11-12,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyNNTOTSPBBPIKAE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.04
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide (PubChem CID 65119800) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide
PubChem CID65119800
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2CCCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-11-4-2-6-14(18,8-11)10-16-13(17)12-5-3-7-15-9-12/h11-12,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyNNTOTSPBBPIKAE-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
CID 81133718
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779592
4-methyl-1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442616
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160521
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 65120385
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 115733792

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide (CID 65119800) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide is CC1CCCC(O)(CNC(=O)C2CCCNC2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide?
The InChIKey is NNTOTSPBBPIKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-4-2-6-14(18,8-11)10-16-13(17)12-5-3-7-15-9-12/h11-12,15,18H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 65119800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).