N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C26H31N3O4 — CID 6497518

IUPACN-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1
InChIInChI=1S/C26H31N3O4/c1-3-33-23-10-6-21(7-11-23)27-25(31)19-12-14-28(15-13-19)26(32)20-16-24(30)29(17-20)22-8-4-18(2)5-9-22/h4-11,19-20H,3,12-17H2,1-2H3,(H,27,31)
InChIKeyZQBRGQHCSPFSKN-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.62
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 6497518) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID6497518
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1
InChIInChI=1S/C26H31N3O4/c1-3-33-23-10-6-21(7-11-23)27-25(31)19-12-14-28(15-13-19)26(32)20-16-24(30)29(17-20)22-8-4-18(2)5-9-22/h4-11,19-20H,3,12-17H2,1-2H3,(H,27,31)
InChIKeyZQBRGQHCSPFSKN-UHFFFAOYSA-N
XLogP3.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide 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

N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
N-[4-(diethylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081891
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 40964120
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 17081878
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 6497518) is N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZQBRGQHCSPFSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-3-33-23-10-6-21(7-11-23)27-25(31)19-12-14-28(15-13-19)26(32)20-16-24(30)29(17-20)22-8-4-18(2)5-9-22/h4-11,19-20H,3,12-17H2,1-2H3,(H,27,31).
What are the key properties of N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6497518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).