N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

C24H26N4O5 — CID 17118580

IUPACN-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C24H26N4O5/c1-16-13-20(28(32)33)7-8-21(16)25-23(30)17-9-11-26(12-10-17)24(31)18-14-22(29)27(15-18)19-5-3-2-4-6-19/h2-8,13,17-18H,9-12,14-15H2,1H3,(H,25,30)
InChIKeyMNMYXUPMJWSRSW-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.13
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 17118580) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID17118580
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C24H26N4O5/c1-16-13-20(28(32)33)7-8-21(16)25-23(30)17-9-11-26(12-10-17)24(31)18-14-22(29)27(15-18)19-5-3-2-4-6-19/h2-8,13,17-18H,9-12,14-15H2,1H3,(H,25,30)
InChIKeyMNMYXUPMJWSRSW-UHFFFAOYSA-N
XLogP3.13
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080530
N-(4-bromo-2-methylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118645
N-(2-methyl-3-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118693
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17081834
N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
N-(3,5-difluorophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118809
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118599
N-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118731
(3R)-N-(2-methyl-5-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892321

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (CID 17118580) is N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is MNMYXUPMJWSRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-16-13-20(28(32)33)7-8-21(16)25-23(30)17-9-11-26(12-10-17)24(31)18-14-22(29)27(15-18)19-5-3-2-4-6-19/h2-8,13,17-18H,9-12,14-15H2,1H3,(H,25,30).
What are the key properties of N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17118580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).