4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide

C15H19N3O3 — CID 166199318

IUPAC4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
SMILESCC(C)C1C(=O)NCCN1C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H19N3O3/c1-9(2)12-14(20)17-7-8-18(12)15(21)11-5-3-10(4-6-11)13(16)19/h3-6,9,12H,7-8H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyKNPPHXHJWGSJLT-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.38
Rot. Bonds3

About 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide

4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide (PubChem CID 166199318) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound Name4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
PubChem CID166199318
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
SMILESCC(C)C1C(=O)NCCN1C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H19N3O3/c1-9(2)12-14(20)17-7-8-18(12)15(21)11-5-3-10(4-6-11)13(16)19/h3-6,9,12H,7-8H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyKNPPHXHJWGSJLT-UHFFFAOYSA-N
XLogP0.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
methyl 3-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]benzoate
CID 95316463
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
CID 56716843
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 71998166
6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione
CID 126423893
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815
4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
CID 119951226
4-pentanoyl-3-propan-2-ylpiperazin-2-one
CID 110873304
4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 146124397

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide?
The IUPAC name of 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide (CID 166199318) is 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide is CC(C)C1C(=O)NCCN1C(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide?
The InChIKey is KNPPHXHJWGSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)12-14(20)17-7-8-18(12)15(21)11-5-3-10(4-6-11)13(16)19/h3-6,9,12H,7-8H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide?
4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide has a molecular weight of 289.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 166199318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).