(3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide

C26H30N4O3 — CID 25282807

IUPAC(3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)c2)c1
InChIInChI=1S/C26H30N4O3/c1-18-5-2-6-19(15-18)20-7-3-9-23(16-20)27-26(33)21-8-4-14-30(17-21)25(32)13-11-22-10-12-24(31)29-28-22/h2-3,5-7,9,15-16,21H,4,8,10-14,17H2,1H3,(H,27,33)(H,29,31)/t21-/m0/s1
InChIKeyFESLBSVFOUWLOK-NRFANRHFSA-N
MW446.55 g/mol
LogP3.89
Rot. Bonds6

About (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide

(3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 25282807) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide
PubChem CID25282807
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name(3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)c2)c1
InChIInChI=1S/C26H30N4O3/c1-18-5-2-6-19(15-18)20-7-3-9-23(16-20)27-26(33)21-8-4-14-30(17-21)25(32)13-11-22-10-12-24(31)29-28-22/h2-3,5-7,9,15-16,21H,4,8,10-14,17H2,1H3,(H,27,33)(H,29,31)/t21-/m0/s1
InChIKeyFESLBSVFOUWLOK-NRFANRHFSA-N
XLogP3.89
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-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-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45195638
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 25385278
1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 55914431
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
CID 25374168
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 45253222
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide (CID 25282807) is (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide is Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)c2)c1.
What is the InChIKey of (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is FESLBSVFOUWLOK-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-5-2-6-19(15-18)20-7-3-9-23(16-20)27-26(33)21-8-4-14-30(17-21)25(32)13-11-22-10-12-24(31)29-28-22/h2-3,5-7,9,15-16,21H,4,8,10-14,17H2,1H3,(H,27,33)(H,29,31)/t21-/m0/s1.
What are the key properties of (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide?
(3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 25282807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).