4-(4-methylidenecyclohexyl)piperazin-2-one

C11H18N2O — CID 58902675

IUPAC4-(4-methylidenecyclohexyl)piperazin-2-one
SMILESC=C1CCC(N2CCNC(=O)C2)CC1
InChIInChI=1S/C11H18N2O/c1-9-2-4-10(5-3-9)13-7-6-12-11(14)8-13/h10H,1-8H2,(H,12,14)
InChIKeyLPVVJJIMYDMQNP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.92
Rot. Bonds1

About 4-(4-methylidenecyclohexyl)piperazin-2-one

4-(4-methylidenecyclohexyl)piperazin-2-one (PubChem CID 58902675) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(4-methylidenecyclohexyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-methylidenecyclohexyl)piperazin-2-one
PubChem CID58902675
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(4-methylidenecyclohexyl)piperazin-2-one
SMILESC=C1CCC(N2CCNC(=O)C2)CC1
InChIInChI=1S/C11H18N2O/c1-9-2-4-10(5-3-9)13-7-6-12-11(14)8-13/h10H,1-8H2,(H,12,14)
InChIKeyLPVVJJIMYDMQNP-UHFFFAOYSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylidenecyclohexyl)piperazin-2-one?
The IUPAC name of 4-(4-methylidenecyclohexyl)piperazin-2-one (CID 58902675) is 4-(4-methylidenecyclohexyl)piperazin-2-one.
What is the SMILES notation for 4-(4-methylidenecyclohexyl)piperazin-2-one?
The canonical SMILES for 4-(4-methylidenecyclohexyl)piperazin-2-one is C=C1CCC(N2CCNC(=O)C2)CC1.
What is the InChIKey of 4-(4-methylidenecyclohexyl)piperazin-2-one?
The InChIKey is LPVVJJIMYDMQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-2-4-10(5-3-9)13-7-6-12-11(14)8-13/h10H,1-8H2,(H,12,14).
What are the key properties of 4-(4-methylidenecyclohexyl)piperazin-2-one?
4-(4-methylidenecyclohexyl)piperazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylidenecyclohexyl)piperazin-2-one is sourced from PubChem (CID 58902675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).