(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one

C19H20N2O2 — CID 25283951

IUPAC(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-18(22)20-11-12-21(14)19(23)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyGTJPOZBVHAMLJN-AWEZNQCLSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds3

About (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one

(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one (PubChem CID 25283951) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
PubChem CID25283951
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-18(22)20-11-12-21(14)19(23)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyGTJPOZBVHAMLJN-AWEZNQCLSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
AR-M1000390
CID 9841259
N,N'-dibenzoylpiperazine
CID 80185
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Jnj-63533054
CID 2548547
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one (CID 25283951) is (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one is C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one?
The InChIKey is GTJPOZBVHAMLJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-18(22)20-11-12-21(14)19(23)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one?
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 25283951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).