1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid

C15H22N2O3 — CID 62715208

IUPAC1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyGIROENGUNDAGAB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.40
Rot. Bonds2

About 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 62715208) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID62715208
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyGIROENGUNDAGAB-UHFFFAOYSA-N
XLogP2.40
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid (CID 62715208) is 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid is CC(C)(C)C(=O)N1CCC(n2cccc2C(=O)O)CC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is GIROENGUNDAGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 62715208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).