4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136716216

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-15-11(8-12(18)16-13)17-7-5-6-14(3,9-17)19-4/h8,10H,5-7,9H2,1-4H3,(H,15,16,18)
InChIKeyZTJGFBJILCBMBP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.90
Rot. Bonds3

About 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136716216) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136716216
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-15-11(8-12(18)16-13)17-7-5-6-14(3,9-17)19-4/h8,10H,5-7,9H2,1-4H3,(H,15,16,18)
InChIKeyZTJGFBJILCBMBP-UHFFFAOYSA-N
XLogP1.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136716216) is 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is COC1(C)CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZTJGFBJILCBMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)13-15-11(8-12(18)16-13)17-7-5-6-14(3,9-17)19-4/h8,10H,5-7,9H2,1-4H3,(H,15,16,18).
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.90, 3 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)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136716216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).