N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide

C17H23FN2O3 — CID 53011178

IUPACN-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C)(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-17(7-4-8-20(12-17)15(21)11-23-2)16(22)19-10-13-5-3-6-14(18)9-13/h3,5-6,9H,4,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyLDWXKOYOZFHLBR-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.72
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide (PubChem CID 53011178) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide
PubChem CID53011178
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C)(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-17(7-4-8-20(12-17)15(21)11-23-2)16(22)19-10-13-5-3-6-14(18)9-13/h3,5-6,9H,4,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyLDWXKOYOZFHLBR-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide (CID 53011178) is N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide is COCC(=O)N1CCCC(C)(C(=O)NCc2cccc(F)c2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is LDWXKOYOZFHLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-17(7-4-8-20(12-17)15(21)11-23-2)16(22)19-10-13-5-3-6-14(18)9-13/h3,5-6,9H,4,7-8,10-12H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 53011178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).