1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid

C21H32N2O4 — CID 82260432

IUPAC1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid
SMILESCCCCC(=O)Nc1ccc(CCN2CCCC(C(=O)O)C2)cc1OCC
InChIInChI=1S/C21H32N2O4/c1-3-5-8-20(24)22-18-10-9-16(14-19(18)27-4-2)11-13-23-12-6-7-17(15-23)21(25)26/h9-10,14,17H,3-8,11-13,15H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHZCURXQPLZJAMD-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.55
Rot. Bonds10

About 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid

1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid (PubChem CID 82260432) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid
PubChem CID82260432
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid
SMILESCCCCC(=O)Nc1ccc(CCN2CCCC(C(=O)O)C2)cc1OCC
InChIInChI=1S/C21H32N2O4/c1-3-5-8-20(24)22-18-10-9-16(14-19(18)27-4-2)11-13-23-12-6-7-17(15-23)21(25)26/h9-10,14,17H,3-8,11-13,15H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHZCURXQPLZJAMD-UHFFFAOYSA-N
XLogP3.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
CID 82260151
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[(4-butoxy-3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 122036354
1-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122002866
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid (CID 82260432) is 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid is CCCCC(=O)Nc1ccc(CCN2CCCC(C(=O)O)C2)cc1OCC.
What is the InChIKey of 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid?
The InChIKey is HZCURXQPLZJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-3-5-8-20(24)22-18-10-9-16(14-19(18)27-4-2)11-13-23-12-6-7-17(15-23)21(25)26/h9-10,14,17H,3-8,11-13,15H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid?
1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82260432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).