[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride

C24H36ClN3O2 — CID 119519283

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2CCCCC2C(=O)N2c3ccccc3CC2C)CC1.Cl
InChIInChI=1S/C24H35N3O2.ClH/c1-16-15-19-7-3-6-10-22(19)27(16)24(29)21-9-5-4-8-20(21)23(28)26-13-11-18(12-14-26)17(2)25;/h3,6-7,10,16-18,20-21H,4-5,8-9,11-15,25H2,1-2H3;1H
InChIKeyGUZFWMZTYSSAHW-UHFFFAOYSA-N
MW434.02 g/mol
LogP3.78
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride (PubChem CID 119519283) has the molecular formula C24H36ClN3O2 and a molecular weight of 434.02 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
PubChem CID119519283
Molecular FormulaC24H36ClN3O2
Molecular Weight434.02 g/mol
Exact Mass433.25
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2CCCCC2C(=O)N2c3ccccc3CC2C)CC1.Cl
InChIInChI=1S/C24H35N3O2.ClH/c1-16-15-19-7-3-6-10-22(19)27(16)24(29)21-9-5-4-8-20(21)23(28)26-13-11-18(12-14-26)17(2)25;/h3,6-7,10,16-18,20-21H,4-5,8-9,11-15,25H2,1-2H3;1H
InChIKeyGUZFWMZTYSSAHW-UHFFFAOYSA-N
XLogP3.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.02
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119411813
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119397296
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359
[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119519297
2,3-dihydro-1H-indol-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 76892715

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride (CID 119519283) is [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride is CC(N)C1CCN(C(=O)C2CCCCC2C(=O)N2c3ccccc3CC2C)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride?
The InChIKey is GUZFWMZTYSSAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2.ClH/c1-16-15-19-7-3-6-10-22(19)27(16)24(29)21-9-5-4-8-20(21)23(28)26-13-11-18(12-14-26)17(2)25;/h3,6-7,10,16-18,20-21H,4-5,8-9,11-15,25H2,1-2H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride has a molecular weight of 434.02 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride is sourced from PubChem (CID 119519283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).