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

C20H21ClN2O2 — CID 110420160

IUPAC3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCNC(=O)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)14-3-5-16(6-4-14)20(25)23-12-11-22-19(24)18(23)15-7-9-17(21)10-8-15/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyJDRHTQBBWACCIQ-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.78
Rot. Bonds3

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

3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one (PubChem CID 110420160) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
PubChem CID110420160
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCNC(=O)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)14-3-5-16(6-4-14)20(25)23-12-11-22-19(24)18(23)15-7-9-17(21)10-8-15/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyJDRHTQBBWACCIQ-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

4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110644815
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
3-[3-oxo-2-(4-propan-2-ylphenyl)piperazine-1-carbonyl]benzonitrile
CID 110420275
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644743
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644742
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110420284
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
butyl 2-[3-oxo-1-(4-propan-2-ylbenzoyl)piperazin-2-yl]acetate
CID 17177448
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one (CID 110420160) is 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one is CC(C)c1ccc(C(=O)N2CCNC(=O)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
The InChIKey is JDRHTQBBWACCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13(2)14-3-5-16(6-4-14)20(25)23-12-11-22-19(24)18(23)15-7-9-17(21)10-8-15/h3-10,13,18H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one?
3-(4-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-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 110420160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).