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

C20H28N4O2 — CID 126862947

IUPAC2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1ncc(CCN2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-15-21-13-18(26-15)8-11-23-9-6-16(7-10-23)14-24-20(25)12-17-4-2-3-5-19(17)22-24/h12-13,16H,2-11,14H2,1H3
InChIKeyMUQSBZLKLGCJQM-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.37
Rot. Bonds5

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

2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126862947) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126862947
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1ncc(CCN2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-15-21-13-18(26-15)8-11-23-9-6-16(7-10-23)14-24-20(25)12-17-4-2-3-5-19(17)22-24/h12-13,16H,2-11,14H2,1H3
InChIKeyMUQSBZLKLGCJQM-UHFFFAOYSA-N
XLogP2.37
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862979
2-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864816
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870
2-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862913
2-[[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864868
2-[[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864885
2-[[1-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862891
2-[[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864870
4-[2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126862993
2-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862937
2-[[1-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862990
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851792

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126862947) is 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1ncc(CCN2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)o1.
What is the InChIKey of 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is MUQSBZLKLGCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-21-13-18(26-15)8-11-23-9-6-16(7-10-23)14-24-20(25)12-17-4-2-3-5-19(17)22-24/h12-13,16H,2-11,14H2,1H3.
What are the key properties of 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 356.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126862947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).