1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

C19H20FN3O2 — CID 119945231

IUPAC1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESNc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-14-5-7-15(8-6-14)22-18(24)13-9-11-23(12-10-13)19(25)16-3-1-2-4-17(16)21/h1-8,13H,9-12,21H2,(H,22,24)
InChIKeyTXLLUPNYPHECIB-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.90
Rot. Bonds3

About 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 119945231) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID119945231
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESNc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-14-5-7-15(8-6-14)22-18(24)13-9-11-23(12-10-13)19(25)16-3-1-2-4-17(16)21/h1-8,13H,9-12,21H2,(H,22,24)
InChIKeyTXLLUPNYPHECIB-UHFFFAOYSA-N
XLogP2.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.90
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

1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768112
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 119945231) is 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide is Nc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is TXLLUPNYPHECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-14-5-7-15(8-6-14)22-18(24)13-9-11-23(12-10-13)19(25)16-3-1-2-4-17(16)21/h1-8,13H,9-12,21H2,(H,22,24).
What are the key properties of 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119945231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).