1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone

C22H30N2O3 — CID 136538057

IUPAC1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)ccc1C
InChIInChI=1S/C22H30N2O3/c1-16-8-9-19(15-20(16)17(2)25)22(27)24-12-10-23(11-13-24)21(26)14-18-6-4-3-5-7-18/h8-9,15,18H,3-7,10-14H2,1-2H3
InChIKeyHYZHJVGZKPFWEB-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.45
Rot. Bonds4

About 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone

1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 136538057) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
PubChem CID136538057
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)ccc1C
InChIInChI=1S/C22H30N2O3/c1-16-8-9-19(15-20(16)17(2)25)22(27)24-12-10-23(11-13-24)21(26)14-18-6-4-3-5-7-18/h8-9,15,18H,3-7,10-14H2,1-2H3
InChIKeyHYZHJVGZKPFWEB-UHFFFAOYSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120629969
2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569
2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 30831100
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone
CID 55566577
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110632671
1-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566268
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46610186
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone (CID 136538057) is 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone is CC(=O)c1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)ccc1C.
What is the InChIKey of 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is HYZHJVGZKPFWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-8-9-19(15-20(16)17(2)25)22(27)24-12-10-23(11-13-24)21(26)14-18-6-4-3-5-7-18/h8-9,15,18H,3-7,10-14H2,1-2H3.
What are the key properties of 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 370.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 136538057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).