3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide

C13H18FN3O — CID 79994443

IUPAC3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
SMILESCC1CC(N)CN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H18FN3O/c1-9-6-10(15)8-17(7-9)13(18)16-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8,15H2,1H3,(H,16,18)
InChIKeyHNHNZJDSKMZCFK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.03
Rot. Bonds1

About 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide

3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide (PubChem CID 79994443) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
PubChem CID79994443
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
SMILESCC1CC(N)CN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H18FN3O/c1-9-6-10(15)8-17(7-9)13(18)16-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8,15H2,1H3,(H,16,18)
InChIKeyHNHNZJDSKMZCFK-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
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 108892509
(3S,4S)-1-[(2-fluorophenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073608
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide (CID 79994443) is 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide is CC1CC(N)CN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide?
The InChIKey is HNHNZJDSKMZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-6-10(15)8-17(7-9)13(18)16-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide?
3-amino-N-(2-fluorophenyl)-5-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 3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79994443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).