1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide

C25H30BrN3O2 — CID 60514707

IUPAC1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3CCN(c4ccccc4Br)C3=O)cc2)C1
InChIInChI=1S/C25H30BrN3O2/c1-18-5-4-13-28(16-18)17-20-10-8-19(9-11-20)15-27-24(30)21-12-14-29(25(21)31)23-7-3-2-6-22(23)26/h2-3,6-11,18,21H,4-5,12-17H2,1H3,(H,27,30)
InChIKeyRVHQQJCLIXYKLM-UHFFFAOYSA-N
MW484.44 g/mol
LogP4.35
Rot. Bonds6

About 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 60514707) has the molecular formula C25H30BrN3O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID60514707
Molecular FormulaC25H30BrN3O2
Molecular Weight484.44 g/mol
Exact Mass483.15
IUPAC Name1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3CCN(c4ccccc4Br)C3=O)cc2)C1
InChIInChI=1S/C25H30BrN3O2/c1-18-5-4-13-28(16-18)17-20-10-8-19(9-11-20)15-27-24(30)21-12-14-29(25(21)31)23-7-3-2-6-22(23)26/h2-3,6-11,18,21H,4-5,12-17H2,1H3,(H,27,30)
InChIKeyRVHQQJCLIXYKLM-UHFFFAOYSA-N
XLogP4.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(2-bromophenyl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94829210
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46474002
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917331
1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 112834405
N-[(2S)-1-aminopropan-2-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120506040
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide (CID 60514707) is 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide is CC1CCCN(Cc2ccc(CNC(=O)C3CCN(c4ccccc4Br)C3=O)cc2)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is RVHQQJCLIXYKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN3O2/c1-18-5-4-13-28(16-18)17-20-10-8-19(9-11-20)15-27-24(30)21-12-14-29(25(21)31)23-7-3-2-6-22(23)26/h2-3,6-11,18,21H,4-5,12-17H2,1H3,(H,27,30).
What are the key properties of 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60514707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).