(3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one

C33H34N2O — CID 102257104

IUPAC(3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C33H34N2O/c1-26(30-20-12-5-13-21-30)35(24-29-18-10-4-11-19-29)32-25-34(23-28-16-8-3-9-17-28)33(36)31(32)22-27-14-6-2-7-15-27/h2-21,26,31-32H,22-25H2,1H3/t26-,31+,32-/m0/s1
InChIKeyLFSKYPKNZQYGIC-YKTXNGGMSA-N
MW474.65 g/mol
LogP6.52
Rot. Bonds9

About (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one

(3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one (PubChem CID 102257104) has the molecular formula C33H34N2O and a molecular weight of 474.65 g/mol. Its IUPAC name is (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one
PubChem CID102257104
Molecular FormulaC33H34N2O
Molecular Weight474.65 g/mol
Exact Mass474.27
IUPAC Name(3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C33H34N2O/c1-26(30-20-12-5-13-21-30)35(24-29-18-10-4-11-19-29)32-25-34(23-28-16-8-3-9-17-28)33(36)31(32)22-27-14-6-2-7-15-27/h2-21,26,31-32H,22-25H2,1H3/t26-,31+,32-/m0/s1
InChIKeyLFSKYPKNZQYGIC-YKTXNGGMSA-N
XLogP6.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

Z-160
CID 4988454
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
1-Cyclohexyl-4-(1-(phenyl(p-tolyl)methyl)piperazine-4-carbonyl)pyrrolidin-2-one
CID 16077263
1-Cyclohexyl-4-(1-((4-fluorophenyl)(phenyl)methyl)piperazine-4-carbonyl)pyrrolidin-2-one
CID 16077264
4-(1-(Bis(4-fluorophenyl)methyl)piperazine-4-carbonyl)-1-cyclohexylpyrrolidin-2-one
CID 16077266
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
3,3-Diphenyl-1-[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 9984406
1-[4-[(2,4-Dimethylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10051194
3,3-Diphenyl-1-[4-[phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 10098449
1-[4-[(4-Fluorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10367798
1-[4-[(4-Methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10412639

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
The IUPAC name of (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one (CID 102257104) is (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one is C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
The InChIKey is LFSKYPKNZQYGIC-YKTXNGGMSA-N. The full InChI is InChI=1S/C33H34N2O/c1-26(30-20-12-5-13-21-30)35(24-29-18-10-4-11-19-29)32-25-34(23-28-16-8-3-9-17-28)33(36)31(32)22-27-14-6-2-7-15-27/h2-21,26,31-32H,22-25H2,1H3/t26-,31+,32-/m0/s1.
What are the key properties of (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
(3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one has a molecular weight of 474.65 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3-dibenzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 102257104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).