1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide

C20H22FN3O2 — CID 89183109

IUPAC1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1
InChIInChI=1S/C20H22FN3O2/c1-13(25)24-10-8-15(9-11-24)20(26)23-19-12-16(4-7-18(19)22)14-2-5-17(21)6-3-14/h2-7,12,15H,8-11,22H2,1H3,(H,23,26)
InChIKeyHHJUIDKQENTWLT-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.27
Rot. Bonds3

About 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide (PubChem CID 89183109) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
PubChem CID89183109
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1
InChIInChI=1S/C20H22FN3O2/c1-13(25)24-10-8-15(9-11-24)20(26)23-19-12-16(4-7-18(19)22)14-2-5-17(21)6-3-14/h2-7,12,15H,8-11,22H2,1H3,(H,23,26)
InChIKeyHHJUIDKQENTWLT-UHFFFAOYSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(1-acetylpiperidin-4-yl)-N-[2-amino-5-(4-fluorophenyl)phenyl]prop-2-enamide
CID 123640632
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
N-[2-amino-5-(4-fluorophenyl)phenyl]-8-formyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 135209736
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 95039569
1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide
CID 110793182
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide (CID 89183109) is 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1.
What is the InChIKey of 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is HHJUIDKQENTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13(25)24-10-8-15(9-11-24)20(26)23-19-12-16(4-7-18(19)22)14-2-5-17(21)6-3-14/h2-7,12,15H,8-11,22H2,1H3,(H,23,26).
What are the key properties of 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 89183109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).