1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid

C19H28N2O3 — CID 82260369

IUPAC1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ccc(CCN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)18(24)20-16-6-4-14(5-7-16)8-11-21-12-9-15(10-13-21)17(22)23/h4-7,15H,8-13H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyAAZIIYDWYJLVDV-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.01
Rot. Bonds5

About 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid

1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid (PubChem CID 82260369) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
PubChem CID82260369
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ccc(CCN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)18(24)20-16-6-4-14(5-7-16)8-11-21-12-9-15(10-13-21)17(22)23/h4-7,15H,8-13H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyAAZIIYDWYJLVDV-UHFFFAOYSA-N
XLogP3.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid (CID 82260369) is 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid is CC(C)(C)C(=O)Nc1ccc(CCN2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
The InChIKey is AAZIIYDWYJLVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)18(24)20-16-6-4-14(5-7-16)8-11-21-12-9-15(10-13-21)17(22)23/h4-7,15H,8-13H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82260369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).