4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one

C20H22N2O2 — CID 110873351

IUPAC4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H22N2O2/c1-14(2)18-19(23)21-11-12-22(18)20(24)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,21,23)
InChIKeySTKCXSYCRNPBQM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds3

About 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one

4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one (PubChem CID 110873351) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
PubChem CID110873351
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H22N2O2/c1-14(2)18-19(23)21-11-12-22(18)20(24)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,21,23)
InChIKeySTKCXSYCRNPBQM-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione
CID 126423893
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
CID 166199318
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
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
3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
CID 56716843
4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 146124397
4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
CID 118772464

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one (CID 110873351) is 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one is CC(C)C1C(=O)NCCN1C(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is STKCXSYCRNPBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)18-19(23)21-11-12-22(18)20(24)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one?
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110873351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).