N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H29N3O3 — CID 17153825

IUPACN-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC1CC(C)CN(C(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)C1
InChIInChI=1S/C25H29N3O3/c1-17-12-18(2)15-27(14-17)25(31)19-8-10-21(11-9-19)26-24(30)20-13-23(29)28(16-20)22-6-4-3-5-7-22/h3-11,17-18,20H,12-16H2,1-2H3,(H,26,30)
InChIKeyRMYFVYWMLJYFPC-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153825) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153825
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC1CC(C)CN(C(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)C1
InChIInChI=1S/C25H29N3O3/c1-17-12-18(2)15-27(14-17)25(31)19-8-10-21(11-9-19)26-24(30)20-13-23(29)28(16-20)22-6-4-3-5-7-22/h3-11,17-18,20H,12-16H2,1-2H3,(H,26,30)
InChIKeyRMYFVYWMLJYFPC-UHFFFAOYSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 94830866
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118599
1-(4-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108800138
N-[4-(dipropylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153801
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153825) is N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC1CC(C)CN(C(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is RMYFVYWMLJYFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-12-18(2)15-27(14-17)25(31)19-8-10-21(11-9-19)26-24(30)20-13-23(29)28(16-20)22-6-4-3-5-7-22/h3-11,17-18,20H,12-16H2,1-2H3,(H,26,30).
What are the key properties of N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).