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

C11H17N3O2 — CID 136716215

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O2/c1-11(16-2)4-3-5-14(7-11)9-6-10(15)13-8-12-9/h6,8H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyQPZXAJWRWHTTOQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds2

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

4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136716215) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136716215
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O2/c1-11(16-2)4-3-5-14(7-11)9-6-10(15)13-8-12-9/h6,8H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyQPZXAJWRWHTTOQ-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696650
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378
4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716209
5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716210
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716212
2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716213
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136716216
4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821999
4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822016

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136716215) is 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1(C)CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QPZXAJWRWHTTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(16-2)4-3-5-14(7-11)9-6-10(15)13-8-12-9/h6,8H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136716215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).