3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid

C23H25N3O5 — CID 58678599

IUPAC3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2CCN(c3ccc(OCC(=O)N4CCCCC4)cc3)C2=O)c1
InChIInChI=1S/C23H25N3O5/c27-21(24-11-2-1-3-12-24)16-31-20-9-7-18(8-10-20)25-13-14-26(23(25)30)19-6-4-5-17(15-19)22(28)29/h4-10,15H,1-3,11-14,16H2,(H,28,29)
InChIKeyUHKPHLPERWCNPW-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.22
Rot. Bonds6

About 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid

3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid (PubChem CID 58678599) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid
PubChem CID58678599
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2CCN(c3ccc(OCC(=O)N4CCCCC4)cc3)C2=O)c1
InChIInChI=1S/C23H25N3O5/c27-21(24-11-2-1-3-12-24)16-31-20-9-7-18(8-10-20)25-13-14-26(23(25)30)19-6-4-5-17(15-19)22(28)29/h4-10,15H,1-3,11-14,16H2,(H,28,29)
InChIKeyUHKPHLPERWCNPW-UHFFFAOYSA-N
XLogP3.22
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid
CID 10410138
3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
4-iodo-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoic acid
CID 114103502
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid (CID 58678599) is 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid is O=C(O)c1cccc(N2CCN(c3ccc(OCC(=O)N4CCCCC4)cc3)C2=O)c1.
What is the InChIKey of 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid?
The InChIKey is UHKPHLPERWCNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-21(24-11-2-1-3-12-24)16-31-20-9-7-18(8-10-20)25-13-14-26(23(25)30)19-6-4-5-17(15-19)22(28)29/h4-10,15H,1-3,11-14,16H2,(H,28,29).
What are the key properties of 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid?
3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid has a molecular weight of 423.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 58678599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).