3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one

C16H22N2O2 — CID 658450

IUPAC3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one
SMILESO=C1C=C(N2CCN(C3=CC(=O)CCC3)CC2)CCC1
InChIInChI=1S/C16H22N2O2/c19-15-5-1-3-13(11-15)17-7-9-18(10-8-17)14-4-2-6-16(20)12-14/h11-12H,1-10H2
InChIKeyPQJOHZJQRVVVPS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds2

About 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one

3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one (PubChem CID 658450) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one
PubChem CID658450
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one
SMILESO=C1C=C(N2CCN(C3=CC(=O)CCC3)CC2)CCC1
InChIInChI=1S/C16H22N2O2/c19-15-5-1-3-13(11-15)17-7-9-18(10-8-17)14-4-2-6-16(20)12-14/h11-12H,1-10H2
InChIKeyPQJOHZJQRVVVPS-UHFFFAOYSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one?
The IUPAC name of 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one (CID 658450) is 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one is O=C1C=C(N2CCN(C3=CC(=O)CCC3)CC2)CCC1.
What is the InChIKey of 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one?
The InChIKey is PQJOHZJQRVVVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-5-1-3-13(11-15)17-7-9-18(10-8-17)14-4-2-6-16(20)12-14/h11-12H,1-10H2.
What are the key properties of 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one?
3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-oxocyclohexen-1-yl)piperazin-1-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 658450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).