4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

C15H21FN2O2 — CID 106781146

IUPAC4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(Cc2cccc(OC)c2F)CCN1
InChIInChI=1S/C15H21FN2O2/c1-17-15(19)12-9-10(6-7-18-12)8-11-4-3-5-13(20-2)14(11)16/h3-5,10,12,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyKGVNAJGQBIFBEF-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.49
Rot. Bonds4

About 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 106781146) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID106781146
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(Cc2cccc(OC)c2F)CCN1
InChIInChI=1S/C15H21FN2O2/c1-17-15(19)12-9-10(6-7-18-12)8-11-4-3-5-13(20-2)14(11)16/h3-5,10,12,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyKGVNAJGQBIFBEF-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 106781147
N-ethyl-4-[(2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 106777776
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
4-ethyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 106260831
N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide
CID 106781844
4-ethyl-N-(2-methoxyphenyl)piperidine-2-carboxamide
CID 114427816
N-methyl-4-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxamide
CID 106780087
4-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104921952
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
N-[2-methoxy-6-(piperidin-4-ylmethyl)phenyl]acetamide
CID 117410784
4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide
CID 82784754
N-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxamide
CID 106779584

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 106781146) is 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CC(Cc2cccc(OC)c2F)CCN1.
What is the InChIKey of 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is KGVNAJGQBIFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17-15(19)12-9-10(6-7-18-12)8-11-4-3-5-13(20-2)14(11)16/h3-5,10,12,18H,6-9H2,1-2H3,(H,17,19).
What are the key properties of 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 106781146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).