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

C18H20FN3O — CID 39453796

IUPAC1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESNc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C18H20FN3O/c19-16-3-1-2-4-17(16)21-18(23)13-9-11-22(12-10-13)15-7-5-14(20)6-8-15/h1-8,13H,9-12,20H2,(H,21,23)
InChIKeyVUYGLLNGESRBCZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.26
Rot. Bonds3

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

1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 39453796) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID39453796
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESNc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C18H20FN3O/c19-16-3-1-2-4-17(16)21-18(23)13-9-11-22(12-10-13)15-7-5-14(20)6-8-15/h1-8,13H,9-12,20H2,(H,21,23)
InChIKeyVUYGLLNGESRBCZ-UHFFFAOYSA-N
XLogP3.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189954
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 17152506

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide (CID 39453796) is 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide is Nc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is VUYGLLNGESRBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-3-1-2-4-17(16)21-18(23)13-9-11-22(12-10-13)15-7-5-14(20)6-8-15/h1-8,13H,9-12,20H2,(H,21,23).
What are the key properties of 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide?
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 39453796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).