3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one

C30H42N4O2 — CID 118919113

IUPAC3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
SMILESCC(=O)C1CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1
InChIInChI=1S/C30H42N4O2/c1-21(35)22-15-17-32(18-16-22)29-30(36)34(28-12-8-7-11-27(28)31-29)26-19-24-13-14-25(20-26)33(24)23-9-5-3-2-4-6-10-23/h7-8,11-12,22-26H,2-6,9-10,13-20H2,1H3/t24-,25+,26?
InChIKeyMHXHWOSQHFTTFM-IQCGEYIDSA-N
MW490.69 g/mol
LogP5.48
Rot. Bonds4

About 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one

3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one (PubChem CID 118919113) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one.

Molecular Properties

Compound Name3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
PubChem CID118919113
Molecular FormulaC30H42N4O2
Molecular Weight490.69 g/mol
Exact Mass490.33
IUPAC Name3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
SMILESCC(=O)C1CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1
InChIInChI=1S/C30H42N4O2/c1-21(35)22-15-17-32(18-16-22)29-30(36)34(28-12-8-7-11-27(28)31-29)26-19-24-13-14-25(20-26)33(24)23-9-5-3-2-4-6-10-23/h7-8,11-12,22-26H,2-6,9-10,13-20H2,1H3/t24-,25+,26?
InChIKeyMHXHWOSQHFTTFM-IQCGEYIDSA-N
XLogP5.48
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-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

4-[4-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxalin-2-yl]-2-oxopiperazine-1-carboxylic acid
CID 90683566
sodium;4-[(1R,5S)-8-cyclononyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;ethyl 4-[(1R,5S)-8-cyclononyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate;hydroxide
CID 157395332
1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]pyrrolidine-3-carboxylic acid
CID 59451028
(2S)-1-[4-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxalin-2-yl]azetidine-2-carboxylic acid
CID 71566726
ethyl 4-(9-cyclononyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxaline-2-carboxylate
CID 66819528
1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one
CID 59451085
3-(2-aminoethylamino)-1-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
CID 66819363
ethyl 1-[2-[[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxoquinoxalin-2-yl]amino]ethyl]pyrrolidine-3-carboxylate
CID 146238911
methyl 1-[[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxoquinoxalin-2-yl]amino]cyclohexane-1-carboxylate
CID 66819423
methyl 2-[[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxoquinoxaline-2-carbonyl]amino]propanoate
CID 66819187
methyl 2-[1-[4-[(4S)-7-cyclooctyl-7-azabicyclo[2.2.1]heptan-2-yl]-3-oxoquinoxalin-2-yl]pyrrolidin-3-yl]acetate
CID 147579952
(2S)-3-[4-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxalin-2-yl]-2-phenylpropanoic acid
CID 159319882

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
The IUPAC name of 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one (CID 118919113) is 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one.
What is the SMILES notation for 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
The canonical SMILES for 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one is CC(=O)C1CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1.
What is the InChIKey of 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
The InChIKey is MHXHWOSQHFTTFM-IQCGEYIDSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-21(35)22-15-17-32(18-16-22)29-30(36)34(28-12-8-7-11-27(28)31-29)26-19-24-13-14-25(20-26)33(24)23-9-5-3-2-4-6-10-23/h7-8,11-12,22-26H,2-6,9-10,13-20H2,1H3/t24-,25+,26?.
What are the key properties of 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one has a molecular weight of 490.69 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one is sourced from PubChem (CID 118919113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).