4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one

C17H24N2O2 — CID 63606357

IUPAC4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCCCCc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-5-6-13-7-9-14(10-8-13)15(20)19-12-11-18-16(21)17(19,2)3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyVTYWQCZGJMHBHW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds4

About 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one

4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63606357) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63606357
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCCCCc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-5-6-13-7-9-14(10-8-13)15(20)19-12-11-18-16(21)17(19,2)3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyVTYWQCZGJMHBHW-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
N,N-dibutyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 16863833
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
(4-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727447
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 16863835
4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 124607399
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
CID 63362105
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one (CID 63606357) is 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one is CCCCc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is VTYWQCZGJMHBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-6-13-7-9-14(10-8-13)15(20)19-12-11-18-16(21)17(19,2)3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21).
What are the key properties of 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one?
4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).