4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid

C19H28N2O4 — CID 20986229

IUPAC4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C19H28N2O4/c22-18(8-9-19(23)24)20-11-10-16-4-6-17(7-5-16)25-15-14-21-12-2-1-3-13-21/h4-7H,1-3,8-15H2,(H,20,22)(H,23,24)
InChIKeyJVBFZRZHGJMEGT-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.07
Rot. Bonds10

About 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid

4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid (PubChem CID 20986229) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid
PubChem CID20986229
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C19H28N2O4/c22-18(8-9-19(23)24)20-11-10-16-4-6-17(7-5-16)25-15-14-21-12-2-1-3-13-21/h4-7H,1-3,8-15H2,(H,20,22)(H,23,24)
InChIKeyJVBFZRZHGJMEGT-UHFFFAOYSA-N
XLogP2.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031021
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 11036347
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid?
The IUPAC name of 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid (CID 20986229) is 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid is O=C(O)CCC(=O)NCCc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid?
The InChIKey is JVBFZRZHGJMEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-18(8-9-19(23)24)20-11-10-16-4-6-17(7-5-16)25-15-14-21-12-2-1-3-13-21/h4-7H,1-3,8-15H2,(H,20,22)(H,23,24).
What are the key properties of 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid?
4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid is sourced from PubChem (CID 20986229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).