2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide

C20H25FN4O2 — CID 91814090

IUPAC2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C20H25FN4O2/c1-2-27-18-5-3-15(4-6-18)11-19(26)22-12-16-7-9-25(10-8-16)20-23-13-17(21)14-24-20/h3-6,13-14,16H,2,7-12H2,1H3,(H,22,26)
InChIKeyGAQTUOPXWTYPPH-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.59
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide

2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 91814090) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
PubChem CID91814090
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C20H25FN4O2/c1-2-27-18-5-3-15(4-6-18)11-19(26)22-12-16-7-9-25(10-8-16)20-23-13-17(21)14-24-20/h3-6,13-14,16H,2,7-12H2,1H3,(H,22,26)
InChIKeyGAQTUOPXWTYPPH-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (CID 91814090) is 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is CCOc1ccc(CC(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is GAQTUOPXWTYPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-2-27-18-5-3-15(4-6-18)11-19(26)22-12-16-7-9-25(10-8-16)20-23-13-17(21)14-24-20/h3-6,13-14,16H,2,7-12H2,1H3,(H,22,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91814090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).