4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide

C25H34N4O5 — CID 91317689

IUPAC4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide
SMILESCc1cc(OCCCC2CCN(c3noc(C4CCC4)n3)CC2)ccc1C(=O)NCC(=O)CO
InChIInChI=1S/C25H34N4O5/c1-17-14-21(7-8-22(17)23(32)26-15-20(31)16-30)33-13-3-4-18-9-11-29(12-10-18)25-27-24(34-28-25)19-5-2-6-19/h7-8,14,18-19,30H,2-6,9-13,15-16H2,1H3,(H,26,32)
InChIKeyOCJCAQLROPXZOI-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.01
Rot. Bonds11

About 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide

4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide (PubChem CID 91317689) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide
PubChem CID91317689
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide
SMILESCc1cc(OCCCC2CCN(c3noc(C4CCC4)n3)CC2)ccc1C(=O)NCC(=O)CO
InChIInChI=1S/C25H34N4O5/c1-17-14-21(7-8-22(17)23(32)26-15-20(31)16-30)33-13-3-4-18-9-11-29(12-10-18)25-27-24(34-28-25)19-5-2-6-19/h7-8,14,18-19,30H,2-6,9-13,15-16H2,1H3,(H,26,32)
InChIKeyOCJCAQLROPXZOI-UHFFFAOYSA-N
XLogP3.01
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[1-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 58354776
N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
CID 58354915
4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 58354862
4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 58354807
N-(1-hydroxypropan-2-yl)-2-methyl-4-[3-[1-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]benzamide
CID 76731101
4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-(2,3-dihydroxypropyl)-2-methylbenzamide
CID 67319131
N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
CID 58354841
4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylbenzamide
CID 58354796
4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 76731075
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-[5-(3-methyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]benzamide
CID 58354849
N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
CID 58354858
4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 58354902

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide?
The IUPAC name of 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide (CID 91317689) is 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide.
What is the SMILES notation for 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide?
The canonical SMILES for 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide is Cc1cc(OCCCC2CCN(c3noc(C4CCC4)n3)CC2)ccc1C(=O)NCC(=O)CO.
What is the InChIKey of 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide?
The InChIKey is OCJCAQLROPXZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-17-14-21(7-8-22(17)23(32)26-15-20(31)16-30)33-13-3-4-18-9-11-29(12-10-18)25-27-24(34-28-25)19-5-2-6-19/h7-8,14,18-19,30H,2-6,9-13,15-16H2,1H3,(H,26,32).
What are the key properties of 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide?
4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide has a molecular weight of 470.57 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide is sourced from PubChem (CID 91317689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).