N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide

C12H16FN3O — CID 110482325

IUPACN-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
SMILESNc1ccc(F)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C12H16FN3O/c13-9-1-2-10(14)11(7-9)16-12(17)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6,14H2,(H,16,17)
InChIKeyUFBLXCLZTOISSK-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.35
Rot. Bonds2

About N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide

N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide (PubChem CID 110482325) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
PubChem CID110482325
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
SMILESNc1ccc(F)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C12H16FN3O/c13-9-1-2-10(14)11(7-9)16-12(17)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6,14H2,(H,16,17)
InChIKeyUFBLXCLZTOISSK-UHFFFAOYSA-N
XLogP1.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 95039569
1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 89183109
N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 166270185
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(5-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide
CID 110471863
(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
CID 105479129
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119264337

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide (CID 110482325) is N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide is Nc1ccc(F)cc1NC(=O)C1CCNCC1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is UFBLXCLZTOISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-9-1-2-10(14)11(7-9)16-12(17)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6,14H2,(H,16,17).
What are the key properties of N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide?
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 110482325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).