1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C20H22FN3O2 — CID 9134233

IUPAC1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c21-16-6-8-18(9-7-16)22-19(25)14-24-12-10-15(11-13-24)20(26)23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,22,25)(H,23,26)
InChIKeyGWLCSEHEQAWAQS-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134233) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134233
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c21-16-6-8-18(9-7-16)22-19(25)14-24-12-10-15(11-13-24)20(26)23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,22,25)(H,23,26)
InChIKeyGWLCSEHEQAWAQS-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 9134233) is 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GWLCSEHEQAWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-6-8-18(9-7-16)22-19(25)14-24-12-10-15(11-13-24)20(26)23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,22,25)(H,23,26).
What are the key properties of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).