1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone

C32H36N2O2 — CID 143186633

IUPAC1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone
SMILESCC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCCC1)=C(C)c1ccccc1-3
InChIInChI=1S/C32H36N2O2/c1-21-25-13-7-8-14-26(25)31-30(23-11-5-3-6-12-23)27-16-15-24(22(2)35)19-29(27)34(31)20-28(21)32(36)33-17-9-4-10-18-33/h7-8,13-16,19,23H,3-6,9-12,17-18,20H2,1-2H3
InChIKeyGNKBRJMGACHQRA-UHFFFAOYSA-N
MW480.65 g/mol
LogP7.36
Rot. Bonds3

About 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone

1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone (PubChem CID 143186633) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone.

Molecular Properties

Compound Name1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone
PubChem CID143186633
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone
SMILESCC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCCC1)=C(C)c1ccccc1-3
InChIInChI=1S/C32H36N2O2/c1-21-25-13-7-8-14-26(25)31-30(23-11-5-3-6-12-23)27-16-15-24(22(2)35)19-29(27)34(31)20-28(21)32(36)33-17-9-4-10-18-33/h7-8,13-16,19,23H,3-6,9-12,17-18,20H2,1-2H3
InChIKeyGNKBRJMGACHQRA-UHFFFAOYSA-N
XLogP7.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone 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

6-(4-acetylpiperazine-1-carbonyl)-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;ethane
CID 143427373
sodium;10-O-tert-butyl 6-O-methyl 13-cyclohexyl-3-methoxy-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;13-cyclohexyl-3-methoxy-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;hydroxide
CID 161138269
1-[13-cyclohexyl-6-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone
CID 126714539
13-cyclohexyl-3-methoxy-6-(2-sulfanylphenyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 143764494
methyl 13-cyclohexyl-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58765165
methyl 13-cyclohexyl-6-oxo-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxylate
CID 58765241
6-cyano-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 68613525
23-cyclohexyl-16-azapentacyclo[14.7.0.02,7.08,14.017,22]tricosa-1(23),2,4,6,8(14),11,17(22),18,20-nonaene-19-carboxylic acid
CID 143574813
methyl 13-cyclohexyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143427262
1-[13-cyclohexyl-5-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzodiazepin-10-yl]ethanone
CID 143093716
13-cyclohexyl-6-oxo-5-propyl-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 71170970
dimethyl 13-cyclohexyl-4-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
CID 59682114

Frequently Asked Questions

What is the IUPAC name of 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone?
The IUPAC name of 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone (CID 143186633) is 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone.
What is the SMILES notation for 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone?
The canonical SMILES for 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone is CC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCCC1)=C(C)c1ccccc1-3.
What is the InChIKey of 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone?
The InChIKey is GNKBRJMGACHQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-21-25-13-7-8-14-26(25)31-30(23-11-5-3-6-12-23)27-16-15-24(22(2)35)19-29(27)34(31)20-28(21)32(36)33-17-9-4-10-18-33/h7-8,13-16,19,23H,3-6,9-12,17-18,20H2,1-2H3.
What are the key properties of 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone?
1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone has a molecular weight of 480.65 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[13-cyclohexyl-5-methyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone is sourced from PubChem (CID 143186633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).