2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C23H35N5O2 — CID 98597594

IUPAC2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1
InChIInChI=1S/C23H35N5O2/c1-18(2)27-11-8-20(9-12-27)28-14-13-26(16-21(28)10-15-29)17-22-24-23(25-30-22)19-6-4-3-5-7-19/h3-7,18,20-21,29H,8-17H2,1-2H3/t21-/m1/s1
InChIKeyQRIMPTZRFRETFP-OAQYLSRUSA-N
MW413.57 g/mol
LogP2.48
Rot. Bonds7

About 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 98597594) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID98597594
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1
InChIInChI=1S/C23H35N5O2/c1-18(2)27-11-8-20(9-12-27)28-14-13-26(16-21(28)10-15-29)17-22-24-23(25-30-22)19-6-4-3-5-7-19/h3-7,18,20-21,29H,8-17H2,1-2H3/t21-/m1/s1
InChIKeyQRIMPTZRFRETFP-OAQYLSRUSA-N
XLogP2.48
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[1-cyclopentyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45242991
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CID 29025292
2-[4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186472
2-[4-(1,3-benzodioxol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45242285
2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51622956
2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51908391
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45189352
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
2-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45210237
2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98579376
2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45199680
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 98597594) is 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1.
What is the InChIKey of 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is QRIMPTZRFRETFP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-18(2)27-11-8-20(9-12-27)28-14-13-26(16-21(28)10-15-29)17-22-24-23(25-30-22)19-6-4-3-5-7-19/h3-7,18,20-21,29H,8-17H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 413.57 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98597594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).