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

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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).