1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid

C24H25N3O5 — CID 94830866

IUPAC1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C24H25N3O5/c28-21-14-18(15-27(21)20-4-2-1-3-5-20)22(29)25-19-8-6-16(7-9-19)23(30)26-12-10-17(11-13-26)24(31)32/h1-9,17-18H,10-15H2,(H,25,29)(H,31,32)/t18-/m1/s1
InChIKeyYEIOZPISTAFMQZ-GOSISDBHSA-N
MW435.48 g/mol
LogP2.62
Rot. Bonds5

About 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 94830866) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID94830866
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C24H25N3O5/c28-21-14-18(15-27(21)20-4-2-1-3-5-20)22(29)25-19-8-6-16(7-9-19)23(30)26-12-10-17(11-13-26)24(31)32/h1-9,17-18H,10-15H2,(H,25,29)(H,31,32)/t18-/m1/s1
InChIKeyYEIOZPISTAFMQZ-GOSISDBHSA-N
XLogP2.62
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816
N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153825
N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118599
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
1-(4-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108800138
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153815
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid (CID 94830866) is 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)CC1.
What is the InChIKey of 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is YEIOZPISTAFMQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N3O5/c28-21-14-18(15-27(21)20-4-2-1-3-5-20)22(29)25-19-8-6-16(7-9-19)23(30)26-12-10-17(11-13-26)24(31)32/h1-9,17-18H,10-15H2,(H,25,29)(H,31,32)/t18-/m1/s1.
What are the key properties of 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 435.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 94830866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).