4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

C11H17N3O2 — CID 103241701

IUPAC4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-14-5-3-2-4-9(14)7-16-11-6-10(15)12-8-13-11/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyOODHCPFYVWYUCN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds3

About 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 103241701) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID103241701
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-14-5-3-2-4-9(14)7-16-11-6-10(15)12-8-13-11/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyOODHCPFYVWYUCN-UHFFFAOYSA-N
XLogP0.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241394
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241408
5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241696
2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241697
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241700
4-[(1-methylpiperidin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241704
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
5-methoxy-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604866
5-chloro-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113616100
2-methyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113792776

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 103241701) is 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is CN1CCCCC1COc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is OODHCPFYVWYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-5-3-2-4-9(14)7-16-11-6-10(15)12-8-13-11/h6,8-9H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).