1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide

C20H23N3O2 — CID 17496230

IUPAC1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccccc2)C1)Nc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(21-17-9-3-1-4-10-17)15-23-13-7-8-16(14-23)20(25)22-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,21,24)(H,22,25)
InChIKeyAOUMMGAXHURRRR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide

1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 17496230) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
PubChem CID17496230
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccccc2)C1)Nc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(21-17-9-3-1-4-10-17)15-23-13-7-8-16(14-23)20(25)22-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,21,24)(H,22,25)
InChIKeyAOUMMGAXHURRRR-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42926368
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538473

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide (CID 17496230) is 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide is O=C(CN1CCCC(C(=O)Nc2ccccc2)C1)Nc1ccccc1.
What is the InChIKey of 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is AOUMMGAXHURRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(21-17-9-3-1-4-10-17)15-23-13-7-8-16(14-23)20(25)22-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,21,24)(H,22,25).
What are the key properties of 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide?
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 17496230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).