1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone

C20H22N2O2 — CID 110109594

IUPAC1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2C)CC1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15-8-6-7-11-18(15)20(24)21-12-13-22(16(2)23)19(14-21)17-9-4-3-5-10-17/h3-11,19H,12-14H2,1-2H3
InChIKeyAGULYYFPRZSQIU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.04
Rot. Bonds2

About 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone

1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone (PubChem CID 110109594) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
PubChem CID110109594
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2C)CC1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15-8-6-7-11-18(15)20(24)21-12-13-22(16(2)23)19(14-21)17-9-4-3-5-10-17/h3-11,19H,12-14H2,1-2H3
InChIKeyAGULYYFPRZSQIU-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124948188
1-[4-(6-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 110098378
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
1-[(2R)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 124976976
1-[4-(1-methylimidazole-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 155983621
1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 125020144
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769
1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124987763
(7R,10aR)-9-acetyl-2-(2-methylbenzoyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 124520392
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
(2-methylphenyl)-(3-phenyl-1,4-diazepan-1-yl)methanone
CID 82251319
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone (CID 110109594) is 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccccc2C)CC1c1ccccc1.
What is the InChIKey of 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is AGULYYFPRZSQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-8-6-7-11-18(15)20(24)21-12-13-22(16(2)23)19(14-21)17-9-4-3-5-10-17/h3-11,19H,12-14H2,1-2H3.
What are the key properties of 1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone?
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 322.41 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-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110109594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).