1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

C15H22N4O — CID 126899404

IUPAC1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nccc(CN2CCC(N3CCCC3=O)CC2)n1
InChIInChI=1S/C15H22N4O/c1-12-16-7-4-13(17-12)11-18-9-5-14(6-10-18)19-8-2-3-15(19)20/h4,7,14H,2-3,5-6,8-11H2,1H3
InChIKeyMYIZIBVUNHKDMK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.37
Rot. Bonds3

About 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899404) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899404
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nccc(CN2CCC(N3CCCC3=O)CC2)n1
InChIInChI=1S/C15H22N4O/c1-12-16-7-4-13(17-12)11-18-9-5-14(6-10-18)19-8-2-3-15(19)20/h4,7,14H,2-3,5-6,8-11H2,1H3
InChIKeyMYIZIBVUNHKDMK-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899404) is 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is Cc1nccc(CN2CCC(N3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is MYIZIBVUNHKDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-16-7-4-13(17-12)11-18-9-5-14(6-10-18)19-8-2-3-15(19)20/h4,7,14H,2-3,5-6,8-11H2,1H3.
What are the key properties of 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 274.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).