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

C19H26N4OS — CID 126863081

IUPAC2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1nc(N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)sc1C
InChIInChI=1S/C19H26N4OS/c1-13-14(2)25-19(20-13)22-9-7-15(8-10-22)12-23-18(24)11-16-5-3-4-6-17(16)21-23/h11,15H,3-10,12H2,1-2H3
InChIKeyIMBPPRQJUFKMCQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.11
Rot. Bonds3

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

2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126863081) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126863081
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1nc(N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)sc1C
InChIInChI=1S/C19H26N4OS/c1-13-14(2)25-19(20-13)22-9-7-15(8-10-22)12-23-18(24)11-16-5-3-4-6-17(16)21-23/h11,15H,3-10,12H2,1-2H3
InChIKeyIMBPPRQJUFKMCQ-UHFFFAOYSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126863081) is 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1nc(N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)sc1C.
What is the InChIKey of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is IMBPPRQJUFKMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-14(2)25-19(20-13)22-9-7-15(8-10-22)12-23-18(24)11-16-5-3-4-6-17(16)21-23/h11,15H,3-10,12H2,1-2H3.
What are the key properties of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 358.51 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126863081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).