3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one

C15H19ClN2O2 — CID 110656787

IUPAC3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
SMILESCC(C)(C)C(=O)N1CCNC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)14(20)18-8-7-17-13(19)12(18)10-5-4-6-11(16)9-10/h4-6,9,12H,7-8H2,1-3H3,(H,17,19)
InChIKeyABQQPFHBZWECDX-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.39
Rot. Bonds1

About 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one

3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one (PubChem CID 110656787) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
PubChem CID110656787
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
SMILESCC(C)(C)C(=O)N1CCNC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)14(20)18-8-7-17-13(19)12(18)10-5-4-6-11(16)9-10/h4-6,9,12H,7-8H2,1-3H3,(H,17,19)
InChIKeyABQQPFHBZWECDX-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644668
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110656867
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 110656831
3-(3-chlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110656832
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656949

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one (CID 110656787) is 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one is CC(C)(C)C(=O)N1CCNC(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one?
The InChIKey is ABQQPFHBZWECDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(2,3)14(20)18-8-7-17-13(19)12(18)10-5-4-6-11(16)9-10/h4-6,9,12H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one?
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one is sourced from PubChem (CID 110656787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).