2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C16H23N3O2 — CID 51072396

IUPAC2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C16H23N3O2/c1-12-6-8-18(9-7-12)16(21)11-19-15(20)10-13-4-2-3-5-14(13)17-19/h10,12H,2-9,11H2,1H3
InChIKeyYBTJINVRVDFTDU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.38
Rot. Bonds2

About 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 51072396) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID51072396
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C16H23N3O2/c1-12-6-8-18(9-7-12)16(21)11-19-15(20)10-13-4-2-3-5-14(13)17-19/h10,12H,2-9,11H2,1H3
InChIKeyYBTJINVRVDFTDU-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 51072396) is 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is CC1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is YBTJINVRVDFTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-8-18(9-7-12)16(21)11-19-15(20)10-13-4-2-3-5-14(13)17-19/h10,12H,2-9,11H2,1H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 51072396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).