1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one

C15H24N2O2 — CID 56744771

IUPAC1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one
SMILESCC(C)=CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C15H24N2O2/c1-12(2)10-14(18)16-8-9-17(15(19)11-16)13-6-4-3-5-7-13/h10,13H,3-9,11H2,1-2H3
InChIKeyLDWSWILGRYAOCN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds2

About 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one

1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one (PubChem CID 56744771) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one
PubChem CID56744771
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one
SMILESCC(C)=CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C15H24N2O2/c1-12(2)10-14(18)16-8-9-17(15(19)11-16)13-6-4-3-5-7-13/h10,13H,3-9,11H2,1-2H3
InChIKeyLDWSWILGRYAOCN-UHFFFAOYSA-N
XLogP1.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-allyl-N-isopropyl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 56751437
3-Methyl-1-(2-methylpiperidin-1-yl)but-2-en-1-one
CID 84369072
(E)-1-(2-butyl-4-methylpiperazin-1-yl)-4-(dimethylamino)but-2-en-1-one
CID 156531099
4-[(E)-4-(dimethylamino)but-2-enoyl]-1-(4-methylcyclohexyl)piperazin-2-one
CID 176557465
3-Methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 53610428
1-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpyridin-2-one
CID 53622607
1-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-4-methylpyridin-2-one
CID 53623088
4-Methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 56827285
N-(2-amino-2-oxoethyl)-3-methyl-N-piperidin-4-ylbut-2-enamide
CID 60801921
3-Methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione
CID 60977446
3-Methyl-1-(1-methylpiperidin-3-yl)-1H-pyrrole-2,5-dione
CID 61221286
1-(1-Ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione
CID 61480337

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one (CID 56744771) is 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one is CC(C)=CC(=O)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one?
The InChIKey is LDWSWILGRYAOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)10-14(18)16-8-9-17(15(19)11-16)13-6-4-3-5-7-13/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one?
1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one is sourced from PubChem (CID 56744771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).