4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136957564

IUPAC4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCOC1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H19N3O2/c1-3-17-10-4-6-15(7-5-10)11-8-12(16)14-9(2)13-11/h8,10H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyORHSVPAYKLYOTJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds3

About 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957564) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957564
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCOC1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H19N3O2/c1-3-17-10-4-6-15(7-5-10)11-8-12(16)14-9(2)13-11/h8,10H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyORHSVPAYKLYOTJ-UHFFFAOYSA-N
XLogP1.08
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378675
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-[4-(2-ethylmorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 144410216
2-cyclopropyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241479
2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241483
2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241485
4-piperidin-4-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604861
4-(1-methylpiperidin-4-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113792738
2-ethyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586280
2-methyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586285
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702379

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136957564) is 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is CCOC1CCN(c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ORHSVPAYKLYOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-10-4-6-15(7-5-10)11-8-12(16)14-9(2)13-11/h8,10H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).