N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide

C21H25N3O2 — CID 108523479

IUPACN-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-19-10-6-7-15-24(19)21(26)20(25)23-18-13-11-17(12-14-18)22-16-8-4-3-5-9-16/h3-5,8-9,11-14,19,22H,2,6-7,10,15H2,1H3,(H,23,25)
InChIKeySDPRFTFPXOHWDE-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.16
Rot. Bonds4

About N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide

N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523479) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523479
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-19-10-6-7-15-24(19)21(26)20(25)23-18-13-11-17(12-14-18)22-16-8-4-3-5-9-16/h3-5,8-9,11-14,19,22H,2,6-7,10,15H2,1H3,(H,23,25)
InChIKeySDPRFTFPXOHWDE-UHFFFAOYSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513142
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500088
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide
CID 108966622
N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108519859
2-(2-ethylpiperidin-1-yl)-2-oxo-N-pyrimidin-2-ylacetamide
CID 108520691
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide (CID 108523479) is N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide is CCC1CCCCN1C(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is SDPRFTFPXOHWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-19-10-6-7-15-24(19)21(26)20(25)23-18-13-11-17(12-14-18)22-16-8-4-3-5-9-16/h3-5,8-9,11-14,19,22H,2,6-7,10,15H2,1H3,(H,23,25).
What are the key properties of N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 351.45 g/mol, XLogP of 4.16, 4 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-ethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).