5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride

C17H22ClN3O3 — CID 68683143

IUPAC5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
SMILESCN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-19(2)13-5-7-20(8-6-13)16(21)11-3-4-14-12(9-11)10-15(18-14)17(22)23;/h3-4,9-10,13,18H,5-8H2,1-2H3,(H,22,23);1H
InChIKeyNGVLYTXEDOXURP-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.45
Rot. Bonds3

About 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride

5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride (PubChem CID 68683143) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
PubChem CID68683143
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
SMILESCN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-19(2)13-5-7-20(8-6-13)16(21)11-3-4-14-12(9-11)10-15(18-14)17(22)23;/h3-4,9-10,13,18H,5-8H2,1-2H3,(H,22,23);1H
InChIKeyNGVLYTXEDOXURP-UHFFFAOYSA-N
XLogP2.45
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
CID 68680623
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808
ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
CID 68680571
[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1H-indol-5-yl]methanone
CID 68680952
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride (CID 68683143) is 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride is CN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1.Cl.
What is the InChIKey of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride?
The InChIKey is NGVLYTXEDOXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c1-19(2)13-5-7-20(8-6-13)16(21)11-3-4-14-12(9-11)10-15(18-14)17(22)23;/h3-4,9-10,13,18H,5-8H2,1-2H3,(H,22,23);1H.
What are the key properties of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride?
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 68683143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).