2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride

C17H26ClN3O2 — CID 120814437

IUPAC2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride
SMILESCc1c(C(=O)N2CCC(N)C(C)(C)C2)[nH]c2c1C(=O)CCC2.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-10-14-11(5-4-6-12(14)21)19-15(10)16(22)20-8-7-13(18)17(2,3)9-20;/h13,19H,4-9,18H2,1-3H3;1H
InChIKeyKMPYUXFHPLKHJC-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.46
Rot. Bonds1

About 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride

2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride (PubChem CID 120814437) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride
PubChem CID120814437
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride
SMILESCc1c(C(=O)N2CCC(N)C(C)(C)C2)[nH]c2c1C(=O)CCC2.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-10-14-11(5-4-6-12(14)21)19-15(10)16(22)20-8-7-13(18)17(2,3)9-20;/h13,19H,4-9,18H2,1-3H3;1H
InChIKeyKMPYUXFHPLKHJC-UHFFFAOYSA-N
XLogP2.46
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride with MolForge

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Related Compounds

3-methyl-2-[(4S)-4-methylazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 95249705
2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 35814605
2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 146039153
2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134006212
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one;hydrochloride
CID 120814125
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 17472682
3-methyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24545327
2-[(4S,4aS,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 100904909
2-[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 172659470
2-methyl-1'-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154567640
4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 171912115
3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24671510

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride (CID 120814437) is 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride is Cc1c(C(=O)N2CCC(N)C(C)(C)C2)[nH]c2c1C(=O)CCC2.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride?
The InChIKey is KMPYUXFHPLKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-10-14-11(5-4-6-12(14)21)19-15(10)16(22)20-8-7-13(18)17(2,3)9-20;/h13,19H,4-9,18H2,1-3H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride?
2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride is sourced from PubChem (CID 120814437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).