3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide

C14H22N4O2 — CID 86797702

IUPAC3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCCOc1cc(N2CCCC(CCC(N)=O)C2)ncn1
InChIInChI=1S/C14H22N4O2/c1-2-20-14-8-13(16-10-17-14)18-7-3-4-11(9-18)5-6-12(15)19/h8,10-11H,2-7,9H2,1H3,(H2,15,19)
InChIKeyNPKGDDUUBCGFEQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.36
Rot. Bonds6

About 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide

3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 86797702) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID86797702
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCCOc1cc(N2CCCC(CCC(N)=O)C2)ncn1
InChIInChI=1S/C14H22N4O2/c1-2-20-14-8-13(16-10-17-14)18-7-3-4-11(9-18)5-6-12(15)19/h8,10-11H,2-7,9H2,1H3,(H2,15,19)
InChIKeyNPKGDDUUBCGFEQ-UHFFFAOYSA-N
XLogP1.36
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide (CID 86797702) is 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide is CCOc1cc(N2CCCC(CCC(N)=O)C2)ncn1.
What is the InChIKey of 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is NPKGDDUUBCGFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-20-14-8-13(16-10-17-14)18-7-3-4-11(9-18)5-6-12(15)19/h8,10-11H,2-7,9H2,1H3,(H2,15,19).
What are the key properties of 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide?
3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 86797702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).