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

C16H24N4O2 — CID 126944989

IUPAC3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCC(CN2CCC(Cn3cnccc3=O)CC2)CN1
InChIInChI=1S/C16H24N4O2/c21-15-2-1-14(9-18-15)10-19-7-4-13(5-8-19)11-20-12-17-6-3-16(20)22/h3,6,12-14H,1-2,4-5,7-11H2,(H,18,21)
InChIKeyTUZMKTNBTMPLEJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.48
Rot. Bonds4

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

3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944989) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944989
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCC(CN2CCC(Cn3cnccc3=O)CC2)CN1
InChIInChI=1S/C16H24N4O2/c21-15-2-1-14(9-18-15)10-19-7-4-13(5-8-19)11-20-12-17-6-3-16(20)22/h3,6,12-14H,1-2,4-5,7-11H2,(H,18,21)
InChIKeyTUZMKTNBTMPLEJ-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944989) is 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1CCC(CN2CCC(Cn3cnccc3=O)CC2)CN1.
What is the InChIKey of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is TUZMKTNBTMPLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-2-1-14(9-18-15)10-19-7-4-13(5-8-19)11-20-12-17-6-3-16(20)22/h3,6,12-14H,1-2,4-5,7-11H2,(H,18,21).
What are the key properties of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).