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

C13H21N3O — CID 137013272

IUPAC4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H21N3O/c1-9(2)13-14-11(7-12(17)15-13)16-6-4-5-10(3)8-16/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,17)
InChIKeyOIQKBBVOSBLASP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds2

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

4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137013272) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137013272
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H21N3O/c1-9(2)13-14-11(7-12(17)15-13)16-6-4-5-10(3)8-16/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,17)
InChIKeyOIQKBBVOSBLASP-UHFFFAOYSA-N
XLogP2.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 137013272) is 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OIQKBBVOSBLASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13-14-11(7-12(17)15-13)16-6-4-5-10(3)8-16/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,17).
What are the key properties of 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137013272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).