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

C19H24N4O2 — CID 139022973

IUPAC3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C1NCCCC1N1CCC(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H24N4O2/c24-18-17(6-3-9-20-18)22-10-7-14(8-11-22)12-23-13-21-16-5-2-1-4-15(16)19(23)25/h1-2,4-5,13-14,17H,3,6-12H2,(H,20,24)
InChIKeyZZHCWGYAYCKSII-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.39
Rot. Bonds3

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

3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 139022973) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID139022973
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C1NCCCC1N1CCC(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H24N4O2/c24-18-17(6-3-9-20-18)22-10-7-14(8-11-22)12-23-13-21-16-5-2-1-4-15(16)19(23)25/h1-2,4-5,13-14,17H,3,6-12H2,(H,20,24)
InChIKeyZZHCWGYAYCKSII-UHFFFAOYSA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(6-oxo-4-pyridin-3-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
CID 126943228
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
3-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988371
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035
3-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 138988736
3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 11208839
3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988468
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
3-[[(1R)-2,2-dichlorocyclopropyl]methyl]quinazolin-4-one
CID 9138172
3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883282

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one (CID 139022973) is 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one is O=C1NCCCC1N1CCC(Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is ZZHCWGYAYCKSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18-17(6-3-9-20-18)22-10-7-14(8-11-22)12-23-13-21-16-5-2-1-4-15(16)19(23)25/h1-2,4-5,13-14,17H,3,6-12H2,(H,20,24).
What are the key properties of 3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 340.43 g/mol, XLogP of 1.39, 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]quinazolin-4-one is sourced from PubChem (CID 139022973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).