3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C16H24N4O2 — CID 126944892

IUPAC3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCC(CN2CCC(Cn3cnccc3=O)CC2)N1
InChIInChI=1S/C16H24N4O2/c21-15-3-1-2-14(18-15)11-19-8-5-13(6-9-19)10-20-12-17-7-4-16(20)22/h4,7,12-14H,1-3,5-6,8-11H2,(H,18,21)
InChIKeyOAIMLPGSSHBDSW-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.62
Rot. Bonds4

About 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944892) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944892
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCC(CN2CCC(Cn3cnccc3=O)CC2)N1
InChIInChI=1S/C16H24N4O2/c21-15-3-1-2-14(18-15)11-19-8-5-13(6-9-19)10-20-12-17-7-4-16(20)22/h4,7,12-14H,1-3,5-6,8-11H2,(H,18,21)
InChIKeyOAIMLPGSSHBDSW-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-({1-[(6-Oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943550
6-(Difluoromethyl)-3-({1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126943991
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
5-Methyl-3-({1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940794
5-Methyl-3-({1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940795
4-[(5-Methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]-[1,3'-bipiperidine]-2'-one
CID 126940912
5,6-Dimethyl-3-({1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941259
6-Cyclopropyl-3-({1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941729
3-({1-[(6-Oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942202
6-Tert-butyl-3-({1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944442
7-({4-[(6-Oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126944889
3-({1-[(1-Methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944891

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944892) is 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1CCCC(CN2CCC(Cn3cnccc3=O)CC2)N1.
What is the InChIKey of 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OAIMLPGSSHBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-3-1-2-14(18-15)11-19-8-5-13(6-9-19)10-20-12-17-7-4-16(20)22/h4,7,12-14H,1-3,5-6,8-11H2,(H,18,21).
What are the key properties of 3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.62, 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-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).