1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride

C23H31Cl2N3O — CID 120818051

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
SMILESCC1(C)CN(C(=O)C(c2ccccc2)N2CCc3ccccc32)CCC1N.Cl.Cl
InChIInChI=1S/C23H29N3O.2ClH/c1-23(2)16-25(14-13-20(23)24)22(27)21(18-9-4-3-5-10-18)26-15-12-17-8-6-7-11-19(17)26;;/h3-11,20-21H,12-16,24H2,1-2H3;2*1H
InChIKeyGGHAIKBLHWFGBX-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.22
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride (PubChem CID 120818051) has the molecular formula C23H31Cl2N3O and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
PubChem CID120818051
Molecular FormulaC23H31Cl2N3O
Molecular Weight436.43 g/mol
Exact Mass435.18
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
SMILESCC1(C)CN(C(=O)C(c2ccccc2)N2CCc3ccccc32)CCC1N.Cl.Cl
InChIInChI=1S/C23H29N3O.2ClH/c1-23(2)16-25(14-13-20(23)24)22(27)21(18-9-4-3-5-10-18)26-15-12-17-8-6-7-11-19(17)26;;/h3-11,20-21H,12-16,24H2,1-2H3;2*1H
InChIKeyGGHAIKBLHWFGBX-UHFFFAOYSA-N
XLogP4.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride with MolForge

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 120818052
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 120817338
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 120819474
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
CID 120819720
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride
CID 120813896
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-difluorophenyl)sulfanyl-2-phenylethanone
CID 120818251
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 124616246

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride (CID 120818051) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride is CC1(C)CN(C(=O)C(c2ccccc2)N2CCc3ccccc32)CCC1N.Cl.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride?
The InChIKey is GGHAIKBLHWFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O.2ClH/c1-23(2)16-25(14-13-20(23)24)22(27)21(18-9-4-3-5-10-18)26-15-12-17-8-6-7-11-19(17)26;;/h3-11,20-21H,12-16,24H2,1-2H3;2*1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride has a molecular weight of 436.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride is sourced from PubChem (CID 120818051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).