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

C14H21FN4O2 — CID 91814075

IUPAC2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-2-21-10-13(20)16-7-11-3-5-19(6-4-11)14-17-8-12(15)9-18-14/h8-9,11H,2-7,10H2,1H3,(H,16,20)
InChIKeyYIQDTEQJNDUSKO-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.98
Rot. Bonds6

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

2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 91814075) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
PubChem CID91814075
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-2-21-10-13(20)16-7-11-3-5-19(6-4-11)14-17-8-12(15)9-18-14/h8-9,11H,2-7,10H2,1H3,(H,16,20)
InChIKeyYIQDTEQJNDUSKO-UHFFFAOYSA-N
XLogP0.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (CID 91814075) is 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is CCOCC(=O)NCC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is YIQDTEQJNDUSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-2-21-10-13(20)16-7-11-3-5-19(6-4-11)14-17-8-12(15)9-18-14/h8-9,11H,2-7,10H2,1H3,(H,16,20).
What are the key properties of 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 296.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91814075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).