5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid

C16H20N2O2 — CID 83972129

IUPAC5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid
SMILESCC1CC(C)CN(c2ccc3[nH]c(C(=O)O)cc3c2)C1
InChIInChI=1S/C16H20N2O2/c1-10-5-11(2)9-18(8-10)13-3-4-14-12(6-13)7-15(17-14)16(19)20/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3,(H,19,20)
InChIKeyYXEVYPPRLOJZSS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.35
Rot. Bonds2

About 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid

5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid (PubChem CID 83972129) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid
PubChem CID83972129
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid
SMILESCC1CC(C)CN(c2ccc3[nH]c(C(=O)O)cc3c2)C1
InChIInChI=1S/C16H20N2O2/c1-10-5-11(2)9-18(8-10)13-3-4-14-12(6-13)7-15(17-14)16(19)20/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3,(H,19,20)
InChIKeyYXEVYPPRLOJZSS-UHFFFAOYSA-N
XLogP3.35
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid (CID 83972129) is 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid is CC1CC(C)CN(c2ccc3[nH]c(C(=O)O)cc3c2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid?
The InChIKey is YXEVYPPRLOJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-5-11(2)9-18(8-10)13-3-4-14-12(6-13)7-15(17-14)16(19)20/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid?
5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83972129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).