2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride

C18H28ClN3O — CID 119925901

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCC1CCCN(CC(=O)N2c3ccccc3CC2C)C1CN.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-13-6-5-9-20(17(13)11-19)12-18(22)21-14(2)10-15-7-3-4-8-16(15)21;/h3-4,7-8,13-14,17H,5-6,9-12,19H2,1-2H3;1H
InChIKeySQXJKTGXBGTTHG-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.45
Rot. Bonds3

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride (PubChem CID 119925901) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
PubChem CID119925901
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCC1CCCN(CC(=O)N2c3ccccc3CC2C)C1CN.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-13-6-5-9-20(17(13)11-19)12-18(22)21-14(2)10-15-7-3-4-8-16(15)21;/h3-4,7-8,13-14,17H,5-6,9-12,19H2,1-2H3;1H
InChIKeySQXJKTGXBGTTHG-UHFFFAOYSA-N
XLogP2.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115486453
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569893
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 98701052
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119925999
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride (CID 119925901) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride is CC1CCCN(CC(=O)N2c3ccccc3CC2C)C1CN.Cl.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The InChIKey is SQXJKTGXBGTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c1-13-6-5-9-20(17(13)11-19)12-18(22)21-14(2)10-15-7-3-4-8-16(15)21;/h3-4,7-8,13-14,17H,5-6,9-12,19H2,1-2H3;1H.
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119925901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).