1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C23H24BrN3O3 — CID 55790178

IUPAC1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C23H24BrN3O3/c24-18-9-3-5-11-20(18)27-15-12-17(23(27)30)21(28)25-19-10-4-2-8-16(19)22(29)26-13-6-1-7-14-26/h2-5,8-11,17H,1,6-7,12-15H2,(H,25,28)
InChIKeyIXJHXOKDSCYPHI-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55790178) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55790178
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC Name1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C23H24BrN3O3/c24-18-9-3-5-11-20(18)27-15-12-17(23(27)30)21(28)25-19-10-4-2-8-16(19)22(29)26-13-6-1-7-14-26/h2-5,8-11,17H,1,6-7,12-15H2,(H,25,28)
InChIKeyIXJHXOKDSCYPHI-UHFFFAOYSA-N
XLogP4.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 94010469
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 112834285
1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 56517734
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368549
1-(2-bromophenyl)-3-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78887013
N-[1-(aminomethyl)cyclopentyl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119567791

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 55790178) is 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is IXJHXOKDSCYPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c24-18-9-3-5-11-20(18)27-15-12-17(23(27)30)21(28)25-19-10-4-2-8-16(19)22(29)26-13-6-1-7-14-26/h2-5,8-11,17H,1,6-7,12-15H2,(H,25,28).
What are the key properties of 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55790178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).