2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride

C21H30ClN3O2 — CID 119452390

IUPAC2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-14-12-15-6-2-5-9-19(15)24(14)21(26)18-8-4-3-7-17(18)20(25)23-16-10-11-22-13-16;/h2,5-6,9,14,16-18,22H,3-4,7-8,10-13H2,1H3,(H,23,25);1H
InChIKeyCZZFVIJPKUIVCA-UHFFFAOYSA-N
MW391.94 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride

2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119452390) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119452390
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-14-12-15-6-2-5-9-19(15)24(14)21(26)18-8-4-3-7-17(18)20(25)23-16-10-11-22-13-16;/h2,5-6,9,14,16-18,22H,3-4,7-8,10-13H2,1H3,(H,23,25);1H
InChIKeyCZZFVIJPKUIVCA-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 119447503
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119411813
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
CID 119519283
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 24698122
2,3-dihydro-1H-indol-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 76892715
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119397296
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride (CID 119452390) is 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride is CC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)NC1CCNC1.Cl.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CZZFVIJPKUIVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-14-12-15-6-2-5-9-19(15)24(14)21(26)18-8-4-3-7-17(18)20(25)23-16-10-11-22-13-16;/h2,5-6,9,14,16-18,22H,3-4,7-8,10-13H2,1H3,(H,23,25);1H.
What are the key properties of 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119452390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).