1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide

C13H18FN3O — CID 63331060

IUPAC1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1c(N)cccc1F
InChIInChI=1S/C13H18FN3O/c14-10-4-3-5-11(15)9(10)8-17-7-2-1-6-12(17)13(16)18/h3-5,12H,1-2,6-8,15H2,(H2,16,18)
InChIKeyZBJSYXWIBRYCMH-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.25
Rot. Bonds3

About 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide

1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 63331060) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID63331060
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1c(N)cccc1F
InChIInChI=1S/C13H18FN3O/c14-10-4-3-5-11(15)9(10)8-17-7-2-1-6-12(17)13(16)18/h3-5,12H,1-2,6-8,15H2,(H2,16,18)
InChIKeyZBJSYXWIBRYCMH-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-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 64770224
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
CID 63330937
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
1-[(3-carbamothioyl-4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 107879282

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide (CID 63331060) is 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1c(N)cccc1F.
What is the InChIKey of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is ZBJSYXWIBRYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-10-4-3-5-11(15)9(10)8-17-7-2-1-6-12(17)13(16)18/h3-5,12H,1-2,6-8,15H2,(H2,16,18).
What are the key properties of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide?
1-[(2-amino-6-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-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 63331060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).