N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

C15H19ClN2O2 — CID 108516493

IUPACN-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-10-5-3-6-11(2)18(10)15(20)14(19)17-13-8-4-7-12(16)9-13/h4,7-11H,3,5-6H2,1-2H3,(H,17,19)
InChIKeyBOTKNMQKEQSASY-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.07
Rot. Bonds1

About N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108516493) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108516493
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-10-5-3-6-11(2)18(10)15(20)14(19)17-13-8-4-7-12(16)9-13/h4,7-11H,3,5-6H2,1-2H3,(H,17,19)
InChIKeyBOTKNMQKEQSASY-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108524855
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108515809
2-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3-chlorophenyl)-2-oxoacetamide
CID 129429874
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488
2-(2,6-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522285
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698
N-(3-hydroxyphenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 108895797
N-(3-chlorophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019344
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108507737

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108516493) is N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CCCC(C)N1C(=O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is BOTKNMQKEQSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-5-3-6-11(2)18(10)15(20)14(19)17-13-8-4-7-12(16)9-13/h4,7-11H,3,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 294.78 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108516493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).