(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one

C18H18N2O2 — CID 25283888

IUPAC(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-17(21)19-11-12-20(13)18(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyXGVBJHVVYGAKKR-CYBMUJFWSA-N
MW294.35 g/mol
LogP2.31
Rot. Bonds2

About (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one

(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one (PubChem CID 25283888) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
PubChem CID25283888
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-17(21)19-11-12-20(13)18(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyXGVBJHVVYGAKKR-CYBMUJFWSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
CID 63091999
(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one
CID 126434667
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
butyl 2-[(2S)-3-oxo-1-(4-phenylbenzoyl)piperazin-2-yl]acetate
CID 9298063
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 55219534
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
CID 118772464

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one (CID 25283888) is (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one is C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one?
The InChIKey is XGVBJHVVYGAKKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-17(21)19-11-12-20(13)18(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one?
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one is sourced from PubChem (CID 25283888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).