2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid

C16H26N2O2 — CID 84755902

IUPAC2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)ccn1CCN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-13(2)12-15-14(16(19)20)6-9-18(15)11-10-17-7-4-3-5-8-17/h6,9,13H,3-5,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyGAFQCCNNRJNVII-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.87
Rot. Bonds6

About 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid

2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid (PubChem CID 84755902) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid
PubChem CID84755902
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)ccn1CCN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-13(2)12-15-14(16(19)20)6-9-18(15)11-10-17-7-4-3-5-8-17/h6,9,13H,3-5,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyGAFQCCNNRJNVII-UHFFFAOYSA-N
XLogP2.87
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid (CID 84755902) is 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid is CC(C)Cc1c(C(=O)O)ccn1CCN1CCCCC1.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid?
The InChIKey is GAFQCCNNRJNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)12-15-14(16(19)20)6-9-18(15)11-10-17-7-4-3-5-8-17/h6,9,13H,3-5,7-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid?
2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid has a molecular weight of 278.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 84755902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).