N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide

C15H19N3O3 — CID 112729111

IUPACN-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C15H19N3O3/c1-18(2)15(21)10-3-6-12(7-4-10)17-14(20)11-5-8-13(19)16-9-11/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXVIORTYWZHKRCE-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.85
Rot. Bonds3

About N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112729111) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID112729111
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C15H19N3O3/c1-18(2)15(21)10-3-6-12(7-4-10)17-14(20)11-5-8-13(19)16-9-11/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXVIORTYWZHKRCE-UHFFFAOYSA-N
XLogP0.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 76871986
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 83192913
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide (CID 112729111) is N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)C2CCC(=O)NC2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XVIORTYWZHKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18(2)15(21)10-3-6-12(7-4-10)17-14(20)11-5-8-13(19)16-9-11/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112729111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).