N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C25H28N4O3 — CID 86934310

IUPACN-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C25H28N4O3/c1-19-9-11-20(12-10-19)28(18-25(32)27-14-5-2-6-15-27)24(31)13-16-29-22-8-4-3-7-21(22)23(30)17-26-29/h3-4,7-12,17H,2,5-6,13-16,18H2,1H3
InChIKeyVKMWDFSOJMFJIE-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.14
Rot. Bonds6

About N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 86934310) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID86934310
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C25H28N4O3/c1-19-9-11-20(12-10-19)28(18-25(32)27-14-5-2-6-15-27)24(31)13-16-29-22-8-4-3-7-21(22)23(30)17-26-29/h3-4,7-12,17H,2,5-6,13-16,18H2,1H3
InChIKeyVKMWDFSOJMFJIE-UHFFFAOYSA-N
XLogP3.14
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-oxocinnolin-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 126776520
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 86934220
1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 55956458
N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 55439031
N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
CID 86834839
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 154758120
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17490457
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86934242
1-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9489683
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 86934310) is N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is VKMWDFSOJMFJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-19-9-11-20(12-10-19)28(18-25(32)27-14-5-2-6-15-27)24(31)13-16-29-22-8-4-3-7-21(22)23(30)17-26-29/h3-4,7-12,17H,2,5-6,13-16,18H2,1H3.
What are the key properties of N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 432.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 86934310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).