(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one

C26H26N2O2 — CID 137342622

IUPAC(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one
SMILESO=C1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@H](Cc2ccccc2)N1
InChIInChI=1S/C26H26N2O2/c29-25-19-28(18-23(27-25)16-20-10-4-1-5-11-20)26(30)17-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,29)/t23-/m0/s1
InChIKeyNYBAVSHTPPQVCN-QHCPKHFHSA-N
MW398.51 g/mol
LogP3.78
Rot. Bonds6

About (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one

(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one (PubChem CID 137342622) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one
PubChem CID137342622
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one
SMILESO=C1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@H](Cc2ccccc2)N1
InChIInChI=1S/C26H26N2O2/c29-25-19-28(18-23(27-25)16-20-10-4-1-5-11-20)26(30)17-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,29)/t23-/m0/s1
InChIKeyNYBAVSHTPPQVCN-QHCPKHFHSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
CID 137334191
(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 137335175
(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one
CID 137344270
4-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-cyclohexyl-N-methyl-4-oxobutanamide
CID 137341590
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
(11bS)-2-(3,3-diphenylpropanoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51711390
(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
CID 172660694
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
methyl (2S)-2-[(3R)-3-benzyl-5-oxopiperazin-1-yl]hexanoate
CID 57025518
(3S,6S,9S,15R)-15-benzyl-13-(3-hydroxypropanoyl)-3-methyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone
CID 135114928
6-[(3S)-3-benzyl-5-oxopiperazine-1-carbonyl]-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 137337152

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one (CID 137342622) is (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one is O=C1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@H](Cc2ccccc2)N1.
What is the InChIKey of (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
The InChIKey is NYBAVSHTPPQVCN-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25-19-28(18-23(27-25)16-20-10-4-1-5-11-20)26(30)17-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,29)/t23-/m0/s1.
What are the key properties of (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one has a molecular weight of 398.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one is sourced from PubChem (CID 137342622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).