2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C18H24N4O2 — CID 126862951

IUPAC2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCN(Cc3cocn3)CC1)CCCC2
InChIInChI=1S/C18H24N4O2/c23-18-9-15-3-1-2-4-17(15)20-22(18)10-14-5-7-21(8-6-14)11-16-12-24-13-19-16/h9,12-14H,1-8,10-11H2
InChIKeyIWOMXASGLHPIQK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.02
Rot. Bonds4

About 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126862951) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126862951
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCN(Cc3cocn3)CC1)CCCC2
InChIInChI=1S/C18H24N4O2/c23-18-9-15-3-1-2-4-17(15)20-22(18)10-14-5-7-21(8-6-14)11-16-12-24-13-19-16/h9,12-14H,1-8,10-11H2
InChIKeyIWOMXASGLHPIQK-UHFFFAOYSA-N
XLogP2.02
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126862951) is 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CCN(Cc3cocn3)CC1)CCCC2.
What is the InChIKey of 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is IWOMXASGLHPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18-9-15-3-1-2-4-17(15)20-22(18)10-14-5-7-21(8-6-14)11-16-12-24-13-19-16/h9,12-14H,1-8,10-11H2.
What are the key properties of 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 328.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126862951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).