N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

C21H25N3O2 — CID 108524855

IUPACN-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-8-16(2)24(15)21(26)20(25)23-19-13-11-18(12-14-19)22-17-9-4-3-5-10-17/h3-5,9-16,22H,6-8H2,1-2H3,(H,23,25)
InChIKeyOATVOWKARXNMNQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.16
Rot. Bonds3

About N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108524855) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108524855
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-8-16(2)24(15)21(26)20(25)23-19-13-11-18(12-14-19)22-17-9-4-3-5-10-17/h3-5,9-16,22H,6-8H2,1-2H3,(H,23,25)
InChIKeyOATVOWKARXNMNQ-UHFFFAOYSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522285
N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108519434
N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108516493
ethyl 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500096
N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504006
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108515809
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108523479
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61191051
methyl 1-(2-anilino-2-oxoacetyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 71886936
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108524855) is N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CCCC(C)N1C(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is OATVOWKARXNMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-6-8-16(2)24(15)21(26)20(25)23-19-13-11-18(12-14-19)22-17-9-4-3-5-10-17/h3-5,9-16,22H,6-8H2,1-2H3,(H,23,25).
What are the key properties of N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 351.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108524855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).