2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid

C25H32N2O3 — CID 54544553

IUPAC2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid
SMILESCCCC(NC(=O)Cc1ccc(CC(=O)O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C25H32N2O3/c1-2-8-22(21-9-4-5-10-23(21)27-15-6-3-7-16-27)26-24(28)17-19-11-13-20(14-12-19)18-25(29)30/h4-5,9-14,22H,2-3,6-8,15-18H2,1H3,(H,26,28)(H,29,30)
InChIKeyZFPOUAVEJKJWLB-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.50
Rot. Bonds9

About 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid

2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid (PubChem CID 54544553) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid
PubChem CID54544553
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid
SMILESCCCC(NC(=O)Cc1ccc(CC(=O)O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C25H32N2O3/c1-2-8-22(21-9-4-5-10-23(21)27-15-6-3-7-16-27)26-24(28)17-19-11-13-20(14-12-19)18-25(29)30/h4-5,9-14,22H,2-3,6-8,15-18H2,1H3,(H,26,28)(H,29,30)
InChIKeyZFPOUAVEJKJWLB-UHFFFAOYSA-N
XLogP4.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-[2-(4-methylpiperidin-1-yl)phenyl]butylamino]-2-oxoethyl]benzoic acid
CID 54156305
ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoate
CID 21261792
3-ethoxy-3-oxo-2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)pentylamino]ethyl]phenoxy]propanoic acid
CID 58625223
4-[2-[1-(4-fluoro-2-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]benzoic acid
CID 54293005
4-[2-[1-(5-fluoro-2-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]benzoic acid
CID 54356006
1-[(1S)-1-phenylethyl]-3-[(1S)-1-(2-piperidin-1-ylphenyl)butyl]urea
CID 10595902
4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoic acid
CID 10501610
ethyl 4-[2-[[2-methoxy-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxoethyl]benzoate
CID 13302128
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzamide
CID 54161332
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride
CID 88722000
2-ethoxy-4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)but-3-ynylamino]ethyl]benzoic acid
CID 21261795
ethyl 2-ethoxy-4-[2-[[3-ethoxy-1-(2-piperidin-1-ylphenyl)propyl]amino]-2-oxoethyl]benzoate
CID 152593308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid (CID 54544553) is 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid is CCCC(NC(=O)Cc1ccc(CC(=O)O)cc1)c1ccccc1N1CCCCC1.
What is the InChIKey of 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid?
The InChIKey is ZFPOUAVEJKJWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-2-8-22(21-9-4-5-10-23(21)27-15-6-3-7-16-27)26-24(28)17-19-11-13-20(14-12-19)18-25(29)30/h4-5,9-14,22H,2-3,6-8,15-18H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid?
2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid has a molecular weight of 408.54 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid is sourced from PubChem (CID 54544553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).