3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one

C20H21ClN2O2 — CID 110657344

IUPAC3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)14-7-9-15(10-8-14)20(25)23-12-11-22-19(24)18(23)16-5-3-4-6-17(16)21/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyNAEICECMZMORIQ-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.78
Rot. Bonds3

About 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one

3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one (PubChem CID 110657344) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
PubChem CID110657344
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)14-7-9-15(10-8-14)20(25)23-12-11-22-19(24)18(23)16-5-3-4-6-17(16)21/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyNAEICECMZMORIQ-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110657373
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
(3S)-4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-(2-chlorophenyl)piperazin-2-one
CID 97351154
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471
3-[3-oxo-2-(4-propan-2-ylphenyl)piperazine-1-carbonyl]benzonitrile
CID 110420275

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one (CID 110657344) is 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one is CC(C)c1ccc(C(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
The InChIKey is NAEICECMZMORIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13(2)14-7-9-15(10-8-14)20(25)23-12-11-22-19(24)18(23)16-5-3-4-6-17(16)21/h3-10,13,18H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one has a molecular weight of 356.85 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 110657344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).