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

C10H13N3O3 — CID 136973276

IUPAC5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(=O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c1-16-8-9(11-6-12-10(8)15)13-4-2-7(14)3-5-13/h6H,2-5H2,1H3,(H,11,12,15)
InChIKeyUCXAKKIENPDIFT-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.05
Rot. Bonds2

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

5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973276) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973276
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(=O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c1-16-8-9(11-6-12-10(8)15)13-4-2-7(14)3-5-13/h6H,2-5H2,1H3,(H,11,12,15)
InChIKeyUCXAKKIENPDIFT-UHFFFAOYSA-N
XLogP-0.05
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.05
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
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
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
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805293
4-[ethyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805302

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973276) is 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is COc1c(N2CCC(=O)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UCXAKKIENPDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-8-9(11-6-12-10(8)15)13-4-2-7(14)3-5-13/h6H,2-5H2,1H3,(H,11,12,15).
What are the key properties of 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).