4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide

C13H18FN3O — CID 79868065

IUPAC4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2F)CCC1N
InChIInChI=1S/C13H18FN3O/c1-9-8-17(7-6-11(9)15)13(18)16-12-5-3-2-4-10(12)14/h2-5,9,11H,6-8,15H2,1H3,(H,16,18)
InChIKeyJGECATUAGCYRQI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.03
Rot. Bonds1

About 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide

4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79868065) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID79868065
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2F)CCC1N
InChIInChI=1S/C13H18FN3O/c1-9-8-17(7-6-11(9)15)13(18)16-12-5-3-2-4-10(12)14/h2-5,9,11H,6-8,15H2,1H3,(H,16,18)
InChIKeyJGECATUAGCYRQI-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
CID 79994443
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 115737432
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide (CID 79868065) is 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2ccccc2F)CCC1N.
What is the InChIKey of 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is JGECATUAGCYRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-8-17(7-6-11(9)15)13(18)16-12-5-3-2-4-10(12)14/h2-5,9,11H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79868065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).