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

C13H18FN3O — CID 115312295

IUPAC4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
SMILESCC1CC(N)CCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c1-9-7-11(15)5-6-17(9)13(18)16-12-4-2-3-10(14)8-12/h2-4,8-9,11H,5-7,15H2,1H3,(H,16,18)
InChIKeyFBXBSRQONDMXEU-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.17
Rot. Bonds1

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

4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide (PubChem CID 115312295) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
PubChem CID115312295
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
SMILESCC1CC(N)CCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c1-9-7-11(15)5-6-17(9)13(18)16-12-4-2-3-10(14)8-12/h2-4,8-9,11H,5-7,15H2,1H3,(H,16,18)
InChIKeyFBXBSRQONDMXEU-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
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CID 127769677
(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide
CID 97221670
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
CID 23764104
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide (CID 115312295) is 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide is CC1CC(N)CCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide?
The InChIKey is FBXBSRQONDMXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-7-11(15)5-6-17(9)13(18)16-12-4-2-3-10(14)8-12/h2-4,8-9,11H,5-7,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide?
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115312295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).