(3S)-3-cyclohexylpiperidin-2-one

C11H19NO — CID 124514859

IUPAC(3S)-3-cyclohexylpiperidin-2-one
SMILESO=C1NCCC[C@H]1C1CCCCC1
InChIInChI=1S/C11H19NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,12,13)/t10-/m0/s1
InChIKeyVPAPIRKENYRKCN-JTQLQIEISA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds1

About (3S)-3-cyclohexylpiperidin-2-one

(3S)-3-cyclohexylpiperidin-2-one (PubChem CID 124514859) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3S)-3-cyclohexylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-cyclohexylpiperidin-2-one
PubChem CID124514859
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3S)-3-cyclohexylpiperidin-2-one
SMILESO=C1NCCC[C@H]1C1CCCCC1
InChIInChI=1S/C11H19NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,12,13)/t10-/m0/s1
InChIKeyVPAPIRKENYRKCN-JTQLQIEISA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclobutylpyrrolidin-2-one
CID 105428038
3-(4-ethylcyclohexyl)piperidin-2-one
CID 104679227
3-(2-oxopiperidin-4-yl)piperidin-2-one
CID 118294795
3-(3,5-dimethylcyclohexyl)azepan-2-one
CID 104679675
1,2,3,4,4a,5,6,7,8,9a-decahydropyrido[2,3-c]azepin-9-one
CID 165457744
2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 126837540
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
3-bromo-azacycloundecan-2-one
CID 119089730
3-chloroazocan-2-one
CID 12706376
3-methylazonan-2-one
CID 59032742
3-methyl-azacycloundecan-2-one
CID 118421477

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexylpiperidin-2-one?
The IUPAC name of (3S)-3-cyclohexylpiperidin-2-one (CID 124514859) is (3S)-3-cyclohexylpiperidin-2-one.
What is the SMILES notation for (3S)-3-cyclohexylpiperidin-2-one?
The canonical SMILES for (3S)-3-cyclohexylpiperidin-2-one is O=C1NCCC[C@H]1C1CCCCC1.
What is the InChIKey of (3S)-3-cyclohexylpiperidin-2-one?
The InChIKey is VPAPIRKENYRKCN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,12,13)/t10-/m0/s1.
What are the key properties of (3S)-3-cyclohexylpiperidin-2-one?
(3S)-3-cyclohexylpiperidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexylpiperidin-2-one is sourced from PubChem (CID 124514859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).