3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

C24H36N4O4 — CID 140606203

IUPAC3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1c(C(N)=O)ccc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)c1[C@@H](C)CO
InChIInChI=1S/C24H36N4O4/c1-15(2)23-26-24(32-27-23)28-11-9-18(10-12-28)6-5-13-31-20-8-7-19(22(25)30)17(4)21(20)16(3)14-29/h7-8,15-16,18,29H,5-6,9-14H2,1-4H3,(H2,25,30)/t16-/m0/s1
InChIKeyJIRBVYFIYGQCML-INIZCTEOSA-N
MW444.58 g/mol
LogP3.77
Rot. Bonds10

About 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (PubChem CID 140606203) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.

Molecular Properties

Compound Name3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
PubChem CID140606203
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1c(C(N)=O)ccc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)c1[C@@H](C)CO
InChIInChI=1S/C24H36N4O4/c1-15(2)23-26-24(32-27-23)28-11-9-18(10-12-28)6-5-13-31-20-8-7-19(22(25)30)17(4)21(20)16(3)14-29/h7-8,15-16,18,29H,5-6,9-14H2,1-4H3,(H2,25,30)/t16-/m0/s1
InChIKeyJIRBVYFIYGQCML-INIZCTEOSA-N
XLogP3.77
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The IUPAC name of 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (CID 140606203) is 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.
What is the SMILES notation for 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The canonical SMILES for 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is Cc1c(C(N)=O)ccc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)c1[C@@H](C)CO.
What is the InChIKey of 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The InChIKey is JIRBVYFIYGQCML-INIZCTEOSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-15(2)23-26-24(32-27-23)28-11-9-18(10-12-28)6-5-13-31-20-8-7-19(22(25)30)17(4)21(20)16(3)14-29/h7-8,15-16,18,29H,5-6,9-14H2,1-4H3,(H2,25,30)/t16-/m0/s1.
What are the key properties of 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is sourced from PubChem (CID 140606203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).