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

C23H27N3O2 — CID 112789393

IUPAC1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccccc3N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-17-9-11-19(12-10-17)26-16-18(15-22(26)27)23(28)24-20-7-3-4-8-21(20)25-13-5-2-6-14-25/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,24,28)
InChIKeyMGRLFZIDHUSPRX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.98
Rot. Bonds4

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

1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 112789393) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID112789393
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccccc3N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-17-9-11-19(12-10-17)26-16-18(15-22(26)27)23(28)24-20-7-3-4-8-21(20)25-13-5-2-6-14-25/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,24,28)
InChIKeyMGRLFZIDHUSPRX-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

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803681
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2218525
N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 43059671
(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 112789393) is 1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccccc3N3CCCCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MGRLFZIDHUSPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-9-11-19(12-10-17)26-16-18(15-22(26)27)23(28)24-20-7-3-4-8-21(20)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-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-(2-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-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112789393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).