1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone

C19H26N2O2 — CID 110761379

IUPAC1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H26N2O2/c1-15(22)20-11-13-21(14-12-20)19(23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyFMBTUMAWIVMLPZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.04
Rot. Bonds2

About 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone

1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 110761379) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
PubChem CID110761379
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H26N2O2/c1-15(22)20-11-13-21(14-12-20)19(23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyFMBTUMAWIVMLPZ-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
CID 110812367
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
(4-cyclohexylphenyl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 60587478

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone (CID 110761379) is 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is FMBTUMAWIVMLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15(22)20-11-13-21(14-12-20)19(23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3.
What are the key properties of 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110761379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).