(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone

C26H41N3O — CID 82260579

IUPAC(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2c3ccc(CCN4CCNCC4)cc3CC2C)CC1
InChIInChI=1S/C26H41N3O/c1-3-4-5-21-6-9-23(10-7-21)26(30)29-20(2)18-24-19-22(8-11-25(24)29)12-15-28-16-13-27-14-17-28/h8,11,19-21,23,27H,3-7,9-10,12-18H2,1-2H3
InChIKeyYEUOTGZKGNSBHB-UHFFFAOYSA-N
MW411.63 g/mol
LogP4.41
Rot. Bonds7

About (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone

(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 82260579) has the molecular formula C26H41N3O and a molecular weight of 411.63 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID82260579
Molecular FormulaC26H41N3O
Molecular Weight411.63 g/mol
Exact Mass411.32
IUPAC Name(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2c3ccc(CCN4CCNCC4)cc3CC2C)CC1
InChIInChI=1S/C26H41N3O/c1-3-4-5-21-6-9-23(10-7-21)26(30)29-20(2)18-24-19-22(8-11-25(24)29)12-15-28-16-13-27-14-17-28/h8,11,19-21,23,27H,3-7,9-10,12-18H2,1-2H3
InChIKeyYEUOTGZKGNSBHB-UHFFFAOYSA-N
XLogP4.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[1-(4-butylcyclohexanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]ethyl]piperidine-3-carboxylic acid
CID 82260403
1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82260573
2-ethyl-1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260575
3-methyl-1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260576
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone
CID 82260079
1-[2-(1-butanoyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260393
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 95414968
1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260391
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229
[5-(2-bromobutyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259316

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone (CID 82260579) is (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone is CCCCC1CCC(C(=O)N2c3ccc(CCN4CCNCC4)cc3CC2C)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is YEUOTGZKGNSBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O/c1-3-4-5-21-6-9-23(10-7-21)26(30)29-20(2)18-24-19-22(8-11-25(24)29)12-15-28-16-13-27-14-17-28/h8,11,19-21,23,27H,3-7,9-10,12-18H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone?
(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 411.63 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 82260579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).