3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C15H22N4O2 — CID 126944986

IUPAC3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1NCCCC1N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C15H22N4O2/c20-14-3-7-16-11-19(14)10-12-4-8-18(9-5-12)13-2-1-6-17-15(13)21/h3,7,11-13H,1-2,4-6,8-10H2,(H,17,21)
InChIKeyXWGPGVQEWKKOKC-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.23
Rot. Bonds3

About 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944986) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944986
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1NCCCC1N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C15H22N4O2/c20-14-3-7-16-11-19(14)10-12-4-8-18(9-5-12)13-2-1-6-17-15(13)21/h3,7,11-13H,1-2,4-6,8-10H2,(H,17,21)
InChIKeyXWGPGVQEWKKOKC-UHFFFAOYSA-N
XLogP0.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944986) is 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C1NCCCC1N1CCC(Cn2cnccc2=O)CC1.
What is the InChIKey of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is XWGPGVQEWKKOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14-3-7-16-11-19(14)10-12-4-8-18(9-5-12)13-2-1-6-17-15(13)21/h3,7,11-13H,1-2,4-6,8-10H2,(H,17,21).
What are the key properties of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).