1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C21H25N3O3 — CID 86913235

IUPAC1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CN1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-27-19-12-6-5-11-18(19)23-20(25)15-24-13-7-8-16(14-24)21(26)22-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyHXJAXSGJUQAELM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.98
Rot. Bonds6

About 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 86913235) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID86913235
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CN1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-27-19-12-6-5-11-18(19)23-20(25)15-24-13-7-8-16(14-24)21(26)22-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyHXJAXSGJUQAELM-UHFFFAOYSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-(2-methoxyphenyl)-2-[3-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 166601980
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 171998883
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
N-cyclopropyl-1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 166601973
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 22194042
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 86913235) is 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is COc1ccccc1NC(=O)CN1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is HXJAXSGJUQAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-12-6-5-11-18(19)23-20(25)15-24-13-7-8-16(14-24)21(26)22-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 86913235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).