5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid

C17H22N2O2 — CID 90097858

IUPAC5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid
SMILESCCCN1CCC(c2ccc3[nH]c(C(=O)O)cc3c2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-7-19-8-5-12(6-9-19)13-3-4-15-14(10-13)11-16(18-15)17(20)21/h3-4,10-12,18H,2,5-9H2,1H3,(H,20,21)
InChIKeyHCCMYQIAVPATOC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.46
Rot. Bonds4

About 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid

5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid (PubChem CID 90097858) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid
PubChem CID90097858
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid
SMILESCCCN1CCC(c2ccc3[nH]c(C(=O)O)cc3c2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-7-19-8-5-12(6-9-19)13-3-4-15-14(10-13)11-16(18-15)17(20)21/h3-4,10-12,18H,2,5-9H2,1H3,(H,20,21)
InChIKeyHCCMYQIAVPATOC-UHFFFAOYSA-N
XLogP3.46
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-1H-indole-2-carboxylic acid
CID 79983056
methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate
CID 147588423
6-(oxan-4-yl)-1H-indole-2-carboxylic acid
CID 176653624
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 83972146
5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride
CID 141233880
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
CID 46376388
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
2-bromo-3-(cyclopropylmethyl)-5-(1-ethylpiperidin-4-yl)-1H-indole
CID 175223729
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
CID 68680623
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075

Frequently Asked Questions

What is the IUPAC name of 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid (CID 90097858) is 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid is CCCN1CCC(c2ccc3[nH]c(C(=O)O)cc3c2)CC1.
What is the InChIKey of 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid?
The InChIKey is HCCMYQIAVPATOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-7-19-8-5-12(6-9-19)13-3-4-15-14(10-13)11-16(18-15)17(20)21/h3-4,10-12,18H,2,5-9H2,1H3,(H,20,21).
What are the key properties of 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid?
5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 90097858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).