1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C32H34F2N4O4 — CID 44586455

IUPAC1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C32H34F2N4O4/c33-25-13-23(14-26(34)17-25)15-27(30(40)29-32(42)37(12-11-35-29)18-21-7-3-1-4-8-21)36-31(41)24-16-28(39)38(20-24)19-22-9-5-2-6-10-22/h1-10,13-14,17,24,27,29-30,35,40H,11-12,15-16,18-20H2,(H,36,41)/t24?,27-,29-,30-/m0/s1
InChIKeyUHJGJWDAUJTJOC-WGLJOPIWSA-N
MW576.64 g/mol
LogP2.40
Rot. Bonds10

About 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 44586455) has the molecular formula C32H34F2N4O4 and a molecular weight of 576.64 g/mol. Its IUPAC name is 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID44586455
Molecular FormulaC32H34F2N4O4
Molecular Weight576.64 g/mol
Exact Mass576.25
IUPAC Name1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C32H34F2N4O4/c33-25-13-23(14-26(34)17-25)15-27(30(40)29-32(42)37(12-11-35-29)18-21-7-3-1-4-8-21)36-31(41)24-16-28(39)38(20-24)19-22-9-5-2-6-10-22/h1-10,13-14,17,24,27,29-30,35,40H,11-12,15-16,18-20H2,(H,36,41)/t24?,27-,29-,30-/m0/s1
InChIKeyUHJGJWDAUJTJOC-WGLJOPIWSA-N
XLogP2.40
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.64
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 44586455) is 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UHJGJWDAUJTJOC-WGLJOPIWSA-N. The full InChI is InChI=1S/C32H34F2N4O4/c33-25-13-23(14-26(34)17-25)15-27(30(40)29-32(42)37(12-11-35-29)18-21-7-3-1-4-8-21)36-31(41)24-16-28(39)38(20-24)19-22-9-5-2-6-10-22/h1-10,13-14,17,24,27,29-30,35,40H,11-12,15-16,18-20H2,(H,36,41)/t24?,27-,29-,30-/m0/s1.
What are the key properties of 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 576.64 g/mol, XLogP of 2.40, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44586455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).