5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C18H28N4O2 — CID 126940631

IUPAC5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CCCN(C)C3)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-14-10-19-13-22(17(14)23)11-15-5-8-21(9-6-15)18(24)16-4-3-7-20(2)12-16/h10,13,15-16H,3-9,11-12H2,1-2H3
InChIKeyYKRIYHMTZMNQEU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.13
Rot. Bonds3

About 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940631) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940631
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CCCN(C)C3)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-14-10-19-13-22(17(14)23)11-15-5-8-21(9-6-15)18(24)16-4-3-7-20(2)12-16/h10,13,15-16H,3-9,11-12H2,1-2H3
InChIKeyYKRIYHMTZMNQEU-UHFFFAOYSA-N
XLogP1.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940631) is 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(C(=O)C3CCCN(C)C3)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is YKRIYHMTZMNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-10-19-13-22(17(14)23)11-15-5-8-21(9-6-15)18(24)16-4-3-7-20(2)12-16/h10,13,15-16H,3-9,11-12H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).