1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide

C15H22FN3O — CID 106530891

IUPAC1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCNCc1cc(F)cc(N2CC(C(N)=O)CCC2C)c1
InChIInChI=1S/C15H22FN3O/c1-10-3-4-12(15(17)20)9-19(10)14-6-11(8-18-2)5-13(16)7-14/h5-7,10,12,18H,3-4,8-9H2,1-2H3,(H2,17,20)
InChIKeyGJNOHPQMLYBVEX-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.64
Rot. Bonds4

About 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide

1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 106530891) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
PubChem CID106530891
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCNCc1cc(F)cc(N2CC(C(N)=O)CCC2C)c1
InChIInChI=1S/C15H22FN3O/c1-10-3-4-12(15(17)20)9-19(10)14-6-11(8-18-2)5-13(16)7-14/h5-7,10,12,18H,3-4,8-9H2,1-2H3,(H2,17,20)
InChIKeyGJNOHPQMLYBVEX-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide (CID 106530891) is 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide is CNCc1cc(F)cc(N2CC(C(N)=O)CCC2C)c1.
What is the InChIKey of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is GJNOHPQMLYBVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-3-4-12(15(17)20)9-19(10)14-6-11(8-18-2)5-13(16)7-14/h5-7,10,12,18H,3-4,8-9H2,1-2H3,(H2,17,20).
What are the key properties of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 106530891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).