2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid

C20H24ClN3O3 — CID 136555512

IUPAC2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c21-17-10-14(4-5-16(17)20(25)26)12-24-8-6-13(7-9-24)11-18-22-19(23-27-18)15-2-1-3-15/h4-5,10,13,15H,1-3,6-9,11-12H2,(H,25,26)
InChIKeyNAGVAARYAVRSOW-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.14
Rot. Bonds6

About 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid

2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid (PubChem CID 136555512) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid
PubChem CID136555512
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c21-17-10-14(4-5-16(17)20(25)26)12-24-8-6-13(7-9-24)11-18-22-19(23-27-18)15-2-1-3-15/h4-5,10,13,15H,1-3,6-9,11-12H2,(H,25,26)
InChIKeyNAGVAARYAVRSOW-UHFFFAOYSA-N
XLogP4.14
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 25204685
1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone
CID 155266461
2-chloro-4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid
CID 119178934
3-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62217364
2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide
CID 155511305
2-chloro-4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550473
2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 138030433
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
2-chloro-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 136550588
[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 126775264
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid (CID 136555512) is 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid is O=C(O)c1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid?
The InChIKey is NAGVAARYAVRSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-17-10-14(4-5-16(17)20(25)26)12-24-8-6-13(7-9-24)11-18-22-19(23-27-18)15-2-1-3-15/h4-5,10,13,15H,1-3,6-9,11-12H2,(H,25,26).
What are the key properties of 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid?
2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid has a molecular weight of 389.88 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 136555512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).