1-(4-methylidenecyclohexyl)piperidin-2-one

C12H19NO — CID 58902736

IUPAC1-(4-methylidenecyclohexyl)piperidin-2-one
SMILESC=C1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C12H19NO/c1-10-5-7-11(8-6-10)13-9-3-2-4-12(13)14/h11H,1-9H2
InChIKeyPOWQDQWKWRFXPC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-methylidenecyclohexyl)piperidin-2-one

1-(4-methylidenecyclohexyl)piperidin-2-one (PubChem CID 58902736) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-methylidenecyclohexyl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-methylidenecyclohexyl)piperidin-2-one
PubChem CID58902736
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-methylidenecyclohexyl)piperidin-2-one
SMILESC=C1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C12H19NO/c1-10-5-7-11(8-6-10)13-9-3-2-4-12(13)14/h11H,1-9H2
InChIKeyPOWQDQWKWRFXPC-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
6-Methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one
CID 102384804
4-Methyl-1-piperidin-1-ylpent-4-en-1-one
CID 23382758
3-Methylidene-1-propan-2-ylpiperidin-2-one
CID 23528077
1-[4-(4-Methylidenecyclohexyl)piperazin-1-yl]ethanone
CID 58902777
N-cyclohexyl-N-methyl-4-methylideneheptanamide
CID 70253368
4-Methylidene-1-(2-methylpropyl)piperidin-2-one
CID 89380610
N-methyl-N-(3-methylidenecyclohexyl)acetamide
CID 90986487
1-(2-Ethyl-4-methylidenepiperidin-1-yl)ethanone
CID 121367272
1-(7-Methyloct-7-enyl)piperidin-2-one
CID 130256587
1-(2-Methyl-4-methylidenepiperidin-1-yl)ethanone
CID 134165353
4-Methylidene-1-propan-2-ylpiperidin-2-one
CID 155478860

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidenecyclohexyl)piperidin-2-one?
The IUPAC name of 1-(4-methylidenecyclohexyl)piperidin-2-one (CID 58902736) is 1-(4-methylidenecyclohexyl)piperidin-2-one.
What is the SMILES notation for 1-(4-methylidenecyclohexyl)piperidin-2-one?
The canonical SMILES for 1-(4-methylidenecyclohexyl)piperidin-2-one is C=C1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-(4-methylidenecyclohexyl)piperidin-2-one?
The InChIKey is POWQDQWKWRFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-7-11(8-6-10)13-9-3-2-4-12(13)14/h11H,1-9H2.
What are the key properties of 1-(4-methylidenecyclohexyl)piperidin-2-one?
1-(4-methylidenecyclohexyl)piperidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidenecyclohexyl)piperidin-2-one is sourced from PubChem (CID 58902736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).