1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide

C13H18FN3O — CID 64770224

IUPAC1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1ccc(N)cc1F
InChIInChI=1S/C13H18FN3O/c14-11-7-10(15)5-4-9(11)8-17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,8,15H2,(H2,16,18)
InChIKeyGDWDGPMPSVAQSK-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.25
Rot. Bonds3

About 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide

1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 64770224) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID64770224
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1ccc(N)cc1F
InChIInChI=1S/C13H18FN3O/c14-11-7-10(15)5-4-9(11)8-17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,8,15H2,(H2,16,18)
InChIKeyGDWDGPMPSVAQSK-UHFFFAOYSA-N
XLogP1.25
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.25
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-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
CID 63331060
1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
ethyl (2R)-1-[(2,4-difluorophenyl)methyl]piperidine-2-carboxylate
CID 763684
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-fluoroaniline
CID 82746595
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-[(3-carbamothioyl-4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 107879282
1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide (CID 64770224) is 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1ccc(N)cc1F.
What is the InChIKey of 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is GDWDGPMPSVAQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-7-10(15)5-4-9(11)8-17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,8,15H2,(H2,16,18).
What are the key properties of 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide?
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 64770224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).