N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide

C15H21FN2O2 — CID 45224494

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C15H21FN2O2/c1-20-11-15(19)17-13-6-4-8-18(10-13)9-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)
InChIKeyDPXOMLCCHFOFMX-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.55
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 45224494) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID45224494
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C15H21FN2O2/c1-20-11-15(19)17-13-6-4-8-18(10-13)9-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)
InChIKeyDPXOMLCCHFOFMX-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide (CID 45224494) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is DPXOMLCCHFOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-11-15(19)17-13-6-4-8-18(10-13)9-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 280.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 45224494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).