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

C25H36N4O5 — CID 76731101

IUPACN-(1-hydroxypropan-2-yl)-2-methyl-4-[3-[1-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3noc(C4CCCO4)n3)CC2)ccc1C(=O)NC(C)CO
InChIInChI=1S/C25H36N4O5/c1-17-15-20(7-8-21(17)23(31)26-18(2)16-30)32-13-3-5-19-9-11-29(12-10-19)25-27-24(34-28-25)22-6-4-14-33-22/h7-8,15,18-19,22,30H,3-6,9-14,16H2,1-2H3,(H,26,31)
InChIKeyKSTFKLIEDJOJTF-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.42
Rot. Bonds10

About 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

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 (PubChem CID 76731101) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-methyl-4-[3-[1-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]benzamide
PubChem CID76731101
Molecular FormulaC25H36N4O5
Molecular Weight472.59 g/mol
Exact Mass472.27
IUPAC NameN-(1-hydroxypropan-2-yl)-2-methyl-4-[3-[1-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3noc(C4CCCO4)n3)CC2)ccc1C(=O)NC(C)CO
InChIInChI=1S/C25H36N4O5/c1-17-15-20(7-8-21(17)23(31)26-18(2)16-30)32-13-3-5-19-9-11-29(12-10-19)25-27-24(34-28-25)22-6-4-14-33-22/h7-8,15,18-19,22,30H,3-6,9-14,16H2,1-2H3,(H,26,31)
InChIKeyKSTFKLIEDJOJTF-UHFFFAOYSA-N
XLogP3.42
TPSA109.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.42
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-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 58354807
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
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
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
4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 24989778
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-cyclobutyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-N-(3-hydroxy-2-oxopropyl)-2-methylbenzamide
CID 91317689
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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-(2,3-dihydroxypropyl)-2-methylbenzamide
CID 67319131
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
N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
CID 58354841

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCCCC2CCN(c3noc(C4CCCO4)n3)CC2)ccc1C(=O)NC(C)CO.
What is the InChIKey of 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?
The InChIKey is KSTFKLIEDJOJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O5/c1-17-15-20(7-8-21(17)23(31)26-18(2)16-30)32-13-3-5-19-9-11-29(12-10-19)25-27-24(34-28-25)22-6-4-14-33-22/h7-8,15,18-19,22,30H,3-6,9-14,16H2,1-2H3,(H,26,31).
What are the key properties of 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?
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 has a molecular weight of 472.59 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 76731101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).