4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136702378

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]cn2)CCC1C
InChIInChI=1S/C11H17N3O2/c1-8-3-4-14(6-9(8)16-2)10-5-11(15)13-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKeyHHDHQTNHEDAQAH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds2

About 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136702378) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136702378
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]cn2)CCC1C
InChIInChI=1S/C11H17N3O2/c1-8-3-4-14(6-9(8)16-2)10-5-11(15)13-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKeyHHDHQTNHEDAQAH-UHFFFAOYSA-N
XLogP0.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
4-Hydroxy-6-(3-hydroxypiperidin-1-yl)pyrimidine
CID 136276594
5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702376
2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702377
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702379
4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136702380
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702382
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136702378) is 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1CN(c2cc(=O)[nH]cn2)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HHDHQTNHEDAQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-4-14(6-9(8)16-2)10-5-11(15)13-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136702378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).