2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide

C30H37N3O3 — CID 125163774

IUPAC2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCN(CCCN1CCCCC1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C30H37N3O3/c1-31(17-8-20-32-18-6-3-7-19-32)27(34)21-30(22-28(35)33(29(30)36)26-15-16-26)25-13-11-24(12-14-25)23-9-4-2-5-10-23/h2,4-5,9-14,26H,3,6-8,15-22H2,1H3/t30-/m0/s1
InChIKeyXPKDIOSUWFETBU-PMERELPUSA-N
MW487.64 g/mol
LogP4.24
Rot. Bonds9

About 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide

2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 125163774) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID125163774
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCN(CCCN1CCCCC1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C30H37N3O3/c1-31(17-8-20-32-18-6-3-7-19-32)27(34)21-30(22-28(35)33(29(30)36)26-15-16-26)25-13-11-24(12-14-25)23-9-4-2-5-10-23/h2,4-5,9-14,26H,3,6-8,15-22H2,1H3/t30-/m0/s1
InChIKeyXPKDIOSUWFETBU-PMERELPUSA-N
XLogP4.24
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide 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 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide (CID 125163774) is 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide is CN(CCCN1CCCCC1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is XPKDIOSUWFETBU-PMERELPUSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-31(17-8-20-32-18-6-3-7-19-32)27(34)21-30(22-28(35)33(29(30)36)26-15-16-26)25-13-11-24(12-14-25)23-9-4-2-5-10-23/h2,4-5,9-14,26H,3,6-8,15-22H2,1H3/t30-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 487.64 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 125163774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).