4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136821999

IUPAC4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O2/c1-16-7-9-3-2-4-14(6-9)10-5-11(15)13-8-12-10/h5,8-9H,2-4,6-7H2,1H3,(H,12,13,15)
InChIKeySAAVFIWAHZZBLS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds3

About 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136821999) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136821999
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O2/c1-16-7-9-3-2-4-14(6-9)10-5-11(15)13-8-12-10/h5,8-9H,2-4,6-7H2,1H3,(H,12,13,15)
InChIKeySAAVFIWAHZZBLS-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-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586408
2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586414
2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716215
4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731878
2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733832
2-amino-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733833
4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786674
4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805332
4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805350

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136821999) is 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is COCC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is SAAVFIWAHZZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-7-9-3-2-4-14(6-9)10-5-11(15)13-8-12-10/h5,8-9H,2-4,6-7H2,1H3,(H,12,13,15).
What are the key properties of 4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[3-(methoxymethyl)piperidin-1-yl]-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-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).