4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C12H17N3O3 — CID 136973295

IUPAC4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C(C)=O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-8(16)9-3-5-15(6-4-9)11-10(18-2)12(17)14-7-13-11/h7,9H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyWNCHTIIUBIJUHH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.58
Rot. Bonds3

About 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973295) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973295
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C(C)=O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-8(16)9-3-5-15(6-4-9)11-10(18-2)12(17)14-7-13-11/h7,9H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyWNCHTIIUBIJUHH-UHFFFAOYSA-N
XLogP0.58
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
5-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009793
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805362
4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136868732
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136869155

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136973295) is 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(C(C)=O)CC2)nc[nH]c1=O.
What is the InChIKey of 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WNCHTIIUBIJUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(16)9-3-5-15(6-4-9)11-10(18-2)12(17)14-7-13-11/h7,9H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).