1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

C23H27N3O2 — CID 113185955

IUPAC1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C23H27N3O2/c1-17-7-3-4-8-21(17)26-16-18(15-22(26)27)23(28)24-19-9-11-20(12-10-19)25-13-5-2-6-14-25/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,24,28)
InChIKeyXIOUVQCOTDXPBS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113185955) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113185955
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C23H27N3O2/c1-17-7-3-4-8-21(17)26-16-18(15-22(26)27)23(28)24-19-9-11-20(12-10-19)25-13-5-2-6-14-25/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,24,28)
InChIKeyXIOUVQCOTDXPBS-UHFFFAOYSA-N
XLogP3.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
1-(2,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113186070
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
1-(2-cyanophenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113191847
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29449318
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 124529053
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 113185955) is 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XIOUVQCOTDXPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-7-3-4-8-21(17)26-16-18(15-22(26)27)23(28)24-19-9-11-20(12-10-19)25-13-5-2-6-14-25/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,24,28).
What are the key properties of 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113185955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).