methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate

C20H23N3O4 — CID 71886102

IUPACmethyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)CC1
InChIInChI=1S/C20H23N3O4/c1-13-4-3-5-14(12-13)17-7-6-16(19(25)22-17)18(24)21-15-8-10-23(11-9-15)20(26)27-2/h3-7,12,15H,8-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOYPVFNBYGOHEHY-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.31
Rot. Bonds3

About methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate

methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 71886102) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID71886102
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)CC1
InChIInChI=1S/C20H23N3O4/c1-13-4-3-5-14(12-13)17-7-6-16(19(25)22-17)18(24)21-15-8-10-23(11-9-15)20(26)27-2/h3-7,12,15H,8-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOYPVFNBYGOHEHY-UHFFFAOYSA-N
XLogP2.31
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
CID 86841438
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
N-cyclohexyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497312
3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55842753
N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55842424
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
CID 47072778

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 71886102) is methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)CC1.
What is the InChIKey of methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is OYPVFNBYGOHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-4-3-5-14(12-13)17-7-6-16(19(25)22-17)18(24)21-15-8-10-23(11-9-15)20(26)27-2/h3-7,12,15H,8-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 71886102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).