5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one

C15H24N4O3S — CID 126940681

IUPAC5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(S(=O)(=O)N3CCCC3)CC2)c1=O
InChIInChI=1S/C15H24N4O3S/c1-13-10-16-12-17(15(13)20)11-14-4-8-19(9-5-14)23(21,22)18-6-2-3-7-18/h10,12,14H,2-9,11H2,1H3
InChIKeyIBYNXUZFIVFIIV-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.60
Rot. Bonds4

About 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one

5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 126940681) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID126940681
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(S(=O)(=O)N3CCCC3)CC2)c1=O
InChIInChI=1S/C15H24N4O3S/c1-13-10-16-12-17(15(13)20)11-14-4-8-19(9-5-14)23(21,22)18-6-2-3-7-18/h10,12,14H,2-9,11H2,1H3
InChIKeyIBYNXUZFIVFIIV-UHFFFAOYSA-N
XLogP0.60
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.60
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-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 126940681) is 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(S(=O)(=O)N3CCCC3)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is IBYNXUZFIVFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-13-10-16-12-17(15(13)20)11-14-4-8-19(9-5-14)23(21,22)18-6-2-3-7-18/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one?
5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126940681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).