2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide

C23H34N4O2 — CID 119447503

IUPAC2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)NCCN1CCNCC1
InChIInChI=1S/C23H34N4O2/c1-17-16-18-6-2-5-9-21(18)27(17)23(29)20-8-4-3-7-19(20)22(28)25-12-15-26-13-10-24-11-14-26/h2,5-6,9,17,19-20,24H,3-4,7-8,10-16H2,1H3,(H,25,28)
InChIKeyFXUPMYNZAIPHJU-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide

2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 119447503) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID119447503
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)NCCN1CCNCC1
InChIInChI=1S/C23H34N4O2/c1-17-16-18-6-2-5-9-21(18)27(17)23(29)20-8-4-3-7-19(20)22(28)25-12-15-26-13-10-24-11-14-26/h2,5-6,9,17,19-20,24H,3-4,7-8,10-16H2,1H3,(H,25,28)
InChIKeyFXUPMYNZAIPHJU-UHFFFAOYSA-N
XLogP1.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130596
N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109134117
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109133248
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119411813
[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119397296
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
CID 119868371
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 119445798

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide (CID 119447503) is 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide is CC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is FXUPMYNZAIPHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-17-16-18-6-2-5-9-21(18)27(17)23(29)20-8-4-3-7-19(20)22(28)25-12-15-26-13-10-24-11-14-26/h2,5-6,9,17,19-20,24H,3-4,7-8,10-16H2,1H3,(H,25,28).
What are the key properties of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide?
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119447503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).