2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C16H23N3O2 — CID 51072398

IUPAC2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC1CCCCN1C(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C16H23N3O2/c1-12-6-4-5-9-18(12)16(21)11-19-15(20)10-13-7-2-3-8-14(13)17-19/h10,12H,2-9,11H2,1H3
InChIKeyNRADORMMPLMOHE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds2

About 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 51072398) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID51072398
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC1CCCCN1C(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C16H23N3O2/c1-12-6-4-5-9-18(12)16(21)11-19-15(20)10-13-7-2-3-8-14(13)17-19/h10,12H,2-9,11H2,1H3
InChIKeyNRADORMMPLMOHE-UHFFFAOYSA-N
XLogP1.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 51072398) is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is CC1CCCCN1C(=O)Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is NRADORMMPLMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-4-5-9-18(12)16(21)11-19-15(20)10-13-7-2-3-8-14(13)17-19/h10,12H,2-9,11H2,1H3.
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 51072398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).