1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C20H22FN3O2 — CID 9134379

IUPAC1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c21-16-5-4-8-18(13-16)22-19(25)14-24-11-9-15(10-12-24)20(26)23-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,22,25)(H,23,26)
InChIKeyBBTNUUJMVNFRRE-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134379) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134379
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c21-16-5-4-8-18(13-16)22-19(25)14-24-11-9-15(10-12-24)20(26)23-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,22,25)(H,23,26)
InChIKeyBBTNUUJMVNFRRE-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-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120848161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 9134379) is 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is BBTNUUJMVNFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-5-4-8-18(13-16)22-19(25)14-24-11-9-15(10-12-24)20(26)23-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,22,25)(H,23,26).
What are the key properties of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(3-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-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).