1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol

C18H22N4O2 — CID 154761315

IUPAC1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
SMILESCc1noc(CC2(O)CCCN(Cc3cccc4[nH]ccc34)C2)n1
InChIInChI=1S/C18H22N4O2/c1-13-20-17(24-21-13)10-18(23)7-3-9-22(12-18)11-14-4-2-5-16-15(14)6-8-19-16/h2,4-6,8,19,23H,3,7,9-12H2,1H3
InChIKeyVHVBYIVSPOCSQD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds4

About 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol

1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol (PubChem CID 154761315) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
PubChem CID154761315
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
SMILESCc1noc(CC2(O)CCCN(Cc3cccc4[nH]ccc34)C2)n1
InChIInChI=1S/C18H22N4O2/c1-13-20-17(24-21-13)10-18(23)7-3-9-22(12-18)11-14-4-2-5-16-15(14)6-8-19-16/h2,4-6,8,19,23H,3,7,9-12H2,1H3
InChIKeyVHVBYIVSPOCSQD-UHFFFAOYSA-N
XLogP2.43
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol (CID 154761315) is 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol is Cc1noc(CC2(O)CCCN(Cc3cccc4[nH]ccc34)C2)n1.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol?
The InChIKey is VHVBYIVSPOCSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-20-17(24-21-13)10-18(23)7-3-9-22(12-18)11-14-4-2-5-16-15(14)6-8-19-16/h2,4-6,8,19,23H,3,7,9-12H2,1H3.
What are the key properties of 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol?
1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol has a molecular weight of 326.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 154761315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).