3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

C20H24N6O2 — CID 154819988

IUPAC3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
SMILESCN(Cc1nc(-c2ccccc2)no1)CC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C20H24N6O2/c1-25(13-18-23-19(24-28-18)16-6-3-2-4-7-16)14-20(27)8-5-11-26(15-20)17-12-21-9-10-22-17/h2-4,6-7,9-10,12,27H,5,8,11,13-15H2,1H3
InChIKeyRPBYGFBEYXTZFG-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.99
Rot. Bonds6

About 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (PubChem CID 154819988) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
PubChem CID154819988
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
SMILESCN(Cc1nc(-c2ccccc2)no1)CC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C20H24N6O2/c1-25(13-18-23-19(24-28-18)16-6-3-2-4-7-16)14-20(27)8-5-11-26(15-20)17-12-21-9-10-22-17/h2-4,6-7,9-10,12,27H,5,8,11,13-15H2,1H3
InChIKeyRPBYGFBEYXTZFG-UHFFFAOYSA-N
XLogP1.99
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The IUPAC name of 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (CID 154819988) is 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.
What is the SMILES notation for 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The canonical SMILES for 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is CN(Cc1nc(-c2ccccc2)no1)CC1(O)CCCN(c2cnccn2)C1.
What is the InChIKey of 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The InChIKey is RPBYGFBEYXTZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25(13-18-23-19(24-28-18)16-6-3-2-4-7-16)14-20(27)8-5-11-26(15-20)17-12-21-9-10-22-17/h2-4,6-7,9-10,12,27H,5,8,11,13-15H2,1H3.
What are the key properties of 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol has a molecular weight of 380.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is sourced from PubChem (CID 154819988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).