2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide

C19H27FN2O3 — CID 53151074

IUPAC2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3/c1-21(18(23)13-16-3-5-17(20)6-4-16)14-19(24)22-10-7-15(8-11-22)9-12-25-2/h3-6,15H,7-14H2,1-2H3
InChIKeyFOPALSPDHNNNHK-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.10
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide

2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide (PubChem CID 53151074) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide
PubChem CID53151074
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3/c1-21(18(23)13-16-3-5-17(20)6-4-16)14-19(24)22-10-7-15(8-11-22)9-12-25-2/h3-6,15H,7-14H2,1-2H3
InChIKeyFOPALSPDHNNNHK-UHFFFAOYSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide (CID 53151074) is 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide is COCCC1CCN(C(=O)CN(C)C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The InChIKey is FOPALSPDHNNNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-21(18(23)13-16-3-5-17(20)6-4-16)14-19(24)22-10-7-15(8-11-22)9-12-25-2/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide has a molecular weight of 350.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 53151074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).