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

C25H36N4O5 — CID 58354849

IUPACN-[(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
SMILESCc1cc(OCCCC2CCN(c3noc(C4(C)COC4)n3)CC2)ccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C25H36N4O5/c1-17-13-20(6-7-21(17)22(31)26-18(2)14-30)33-12-4-5-19-8-10-29(11-9-19)24-27-23(34-28-24)25(3)15-32-16-25/h6-7,13,18-19,30H,4-5,8-12,14-16H2,1-3H3,(H,26,31)/t18-/m1/s1
InChIKeyIULPBPNNFUIDHC-GOSISDBHSA-N
MW472.59 g/mol
LogP2.85
Rot. Bonds10

About 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

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 (PubChem CID 58354849) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID58354849
Molecular FormulaC25H36N4O5
Molecular Weight472.59 g/mol
Exact Mass472.27
IUPAC NameN-[(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
SMILESCc1cc(OCCCC2CCN(c3noc(C4(C)COC4)n3)CC2)ccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C25H36N4O5/c1-17-13-20(6-7-21(17)22(31)26-18(2)14-30)33-12-4-5-19-8-10-29(11-9-19)24-27-23(34-28-24)25(3)15-32-16-25/h6-7,13,18-19,30H,4-5,8-12,14-16H2,1-3H3,(H,26,31)/t18-/m1/s1
InChIKeyIULPBPNNFUIDHC-GOSISDBHSA-N
XLogP2.85
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 ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCCCC2CCN(c3noc(C4(C)COC4)n3)CC2)ccc1C(=O)N[C@H](C)CO.
What is the InChIKey of 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?
The InChIKey is IULPBPNNFUIDHC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H36N4O5/c1-17-13-20(6-7-21(17)22(31)26-18(2)14-30)33-12-4-5-19-8-10-29(11-9-19)24-27-23(34-28-24)25(3)15-32-16-25/h6-7,13,18-19,30H,4-5,8-12,14-16H2,1-3H3,(H,26,31)/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 472.59 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58354849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).