3-(cyclohexylmethyl)piperidin-2-one

C12H21NO — CID 104679133

IUPAC3-(cyclohexylmethyl)piperidin-2-one
SMILESO=C1NCCCC1CC1CCCCC1
InChIInChI=1S/C12H21NO/c14-12-11(7-4-8-13-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,13,14)
InChIKeySVGPGKBQNCEKGC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds2

About 3-(cyclohexylmethyl)piperidin-2-one

3-(cyclohexylmethyl)piperidin-2-one (PubChem CID 104679133) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)piperidin-2-one
PubChem CID104679133
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(cyclohexylmethyl)piperidin-2-one
SMILESO=C1NCCCC1CC1CCCCC1
InChIInChI=1S/C12H21NO/c14-12-11(7-4-8-13-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,13,14)
InChIKeySVGPGKBQNCEKGC-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(cyclohexylmethyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
CID 165460765
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 130599733
3-prop-2-ynylazepan-2-one
CID 104679576
3-but-2-ynylpiperidin-2-one
CID 104679069
3-(2,2-difluoroethyl)azepan-2-one
CID 104679699
cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one
CID 165353092
(2S)-2-(cyclohexylmethyl)cyclobutan-1-one
CID 163908337
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one
CID 102903087
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)piperidin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)piperidin-2-one (CID 104679133) is 3-(cyclohexylmethyl)piperidin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)piperidin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)piperidin-2-one is O=C1NCCCC1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)piperidin-2-one?
The InChIKey is SVGPGKBQNCEKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-11(7-4-8-13-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,13,14).
What are the key properties of 3-(cyclohexylmethyl)piperidin-2-one?
3-(cyclohexylmethyl)piperidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)piperidin-2-one is sourced from PubChem (CID 104679133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).