2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

C15H24N4O3 — CID 72874444

IUPAC2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCCN1CCC(CC(=O)NCCc2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H24N4O3/c1-2-19-7-4-11(5-8-19)9-13(20)16-6-3-12-17-14(21)10-15(22)18-12/h10-11H,2-9H2,1H3,(H,16,20)(H2,17,18,21,22)
InChIKeyZGVDQJWPDVJVID-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.26
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (PubChem CID 72874444) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
PubChem CID72874444
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCCN1CCC(CC(=O)NCCc2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H24N4O3/c1-2-19-7-4-11(5-8-19)9-13(20)16-6-3-12-17-14(21)10-15(22)18-12/h10-11H,2-9H2,1H3,(H,16,20)(H2,17,18,21,22)
InChIKeyZGVDQJWPDVJVID-UHFFFAOYSA-N
XLogP0.26
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (CID 72874444) is 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is CCN1CCC(CC(=O)NCCc2nc(O)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is ZGVDQJWPDVJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-2-19-7-4-11(5-8-19)9-13(20)16-6-3-12-17-14(21)10-15(22)18-12/h10-11H,2-9H2,1H3,(H,16,20)(H2,17,18,21,22).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 72874444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).