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

C17H21N3O3 — CID 68680623

IUPAC5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
SMILESCN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1
InChIInChI=1S/C17H21N3O3/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)
InChIKeyVQNANVPPBUKYDC-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.03
Rot. Bonds3

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

5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid (PubChem CID 68680623) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
PubChem CID68680623
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
SMILESCN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1
InChIInChI=1S/C17H21N3O3/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)
InChIKeyVQNANVPPBUKYDC-UHFFFAOYSA-N
XLogP2.03
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.03
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;hydrochloride
CID 68683143
[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
(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
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid (CID 68680623) is 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid is CN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1.
What is the InChIKey of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid?
The InChIKey is VQNANVPPBUKYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/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).
What are the key properties of 5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid?
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.03, 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 is sourced from PubChem (CID 68680623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).