1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one

C11H17N3O — CID 141061605

IUPAC1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2ccc(=O)nc2)CN1
InChIInChI=1S/C11H17N3O/c1-9-2-3-10(6-12-9)7-14-5-4-11(15)13-8-14/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyYPSQSKDXUFSARV-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds2

About 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one

1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one (PubChem CID 141061605) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one
PubChem CID141061605
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2ccc(=O)nc2)CN1
InChIInChI=1S/C11H17N3O/c1-9-2-3-10(6-12-9)7-14-5-4-11(15)13-8-14/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyYPSQSKDXUFSARV-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-(2,2,6,6-Tetramethyl-piperidin-4-ylamino)-pyrimidin-4-ol
CID 69061305
2-[ethyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 164106120
3-[2-(5-Methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 55236850
6-Methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 61678411
3-[5-(Methylamino)hexyl]pyrimidin-4-one
CID 63768132
3-[5-(Ethylamino)hexyl]pyrimidin-4-one
CID 63768313
3-[5-(Propylamino)hexyl]pyrimidin-4-one
CID 63769003
3-(Piperidin-4-ylmethyl)pyrimidin-4-one
CID 63769365
3-(2-Piperidin-2-ylethyl)pyrimidin-4-one
CID 63769530
3-(2-Piperidin-3-ylethyl)pyrimidin-4-one
CID 63769703
3-[(Piperidin-3-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 63769705

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one (CID 141061605) is 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2ccc(=O)nc2)CN1.
What is the InChIKey of 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
The InChIKey is YPSQSKDXUFSARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-2-3-10(6-12-9)7-14-5-4-11(15)13-8-14/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylpiperidin-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 141061605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).