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

C20H25N3O2S — CID 126862761

IUPAC2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1ccsc1C(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C20H25N3O2S/c1-14-8-11-26-19(14)20(25)22-9-6-15(7-10-22)13-23-18(24)12-16-4-2-3-5-17(16)21-23/h8,11-12,15H,2-7,9-10,13H2,1H3
InChIKeyUNMFFQQJTHPVGR-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.04
Rot. Bonds3

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

2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126862761) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126862761
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1ccsc1C(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C20H25N3O2S/c1-14-8-11-26-19(14)20(25)22-9-6-15(7-10-22)13-23-18(24)12-16-4-2-3-5-17(16)21-23/h8,11-12,15H,2-7,9-10,13H2,1H3
InChIKeyUNMFFQQJTHPVGR-UHFFFAOYSA-N
XLogP3.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862666
2-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126854405
2-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862679
2-[[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862725
2-[[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862715
2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864664
3-methyl-5-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126862744
2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862756
2-[[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864694
2-[[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864756
2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862694
N-cycloheptyl-4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidine-1-carboxamide
CID 126864704

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126862761) is 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1ccsc1C(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1.
What is the InChIKey of 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is UNMFFQQJTHPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-8-11-26-19(14)20(25)22-9-6-15(7-10-22)13-23-18(24)12-16-4-2-3-5-17(16)21-23/h8,11-12,15H,2-7,9-10,13H2,1H3.
What are the key properties of 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 371.51 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126862761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).