2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid

C22H26N2O4 — CID 127029416

IUPAC2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c25-21(26)17-28-20-11-13-23(14-12-20)15-16-24(19-9-5-2-6-10-19)22(27)18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,25,26)
InChIKeyJXHIYPMYQDGBJX-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.90
Rot. Bonds8

About 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 127029416) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID127029416
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c25-21(26)17-28-20-11-13-23(14-12-20)15-16-24(19-9-5-2-6-10-19)22(27)18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,25,26)
InChIKeyJXHIYPMYQDGBJX-UHFFFAOYSA-N
XLogP2.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(N-benzoyl-4-butylanilino)ethyl]piperidin-4-yl]oxyacetic acid
CID 127028547
4-fluoro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 134025432
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
CID 65066046
2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63905463
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
9-(N-benzoylanilino)nonanoic acid
CID 10066664
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 112590618
2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid
CID 83059895
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
CID 142235373

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid (CID 127029416) is 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is JXHIYPMYQDGBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(26)17-28-20-11-13-23(14-12-20)15-16-24(19-9-5-2-6-10-19)22(27)18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,25,26).
What are the key properties of 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 382.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 127029416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).