1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone

C19H20N2O2 — CID 110755413

IUPAC1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H20N2O2/c1-15(22)20-10-12-21(13-11-20)19(23)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3
InChIKeyVQHGTAKDHAZXLB-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.66
Rot. Bonds2

About 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone

1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 110755413) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
PubChem CID110755413
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H20N2O2/c1-15(22)20-10-12-21(13-11-20)19(23)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3
InChIKeyVQHGTAKDHAZXLB-UHFFFAOYSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 119069105
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
CID 110646405

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone (CID 110755413) is 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is VQHGTAKDHAZXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15(22)20-10-12-21(13-11-20)19(23)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110755413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).