3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole

C18H22N4O — CID 77097556

IUPAC3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1[nH]c2c(CN3CCC(c4ncon4)CC3)cccc2c1C
InChIInChI=1S/C18H22N4O/c1-12-13(2)20-17-15(4-3-5-16(12)17)10-22-8-6-14(7-9-22)18-19-11-23-21-18/h3-5,11,14,20H,6-10H2,1-2H3
InChIKeyNSCZQYFSMHUNGO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.55
Rot. Bonds3

About 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole

3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 77097556) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID77097556
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1[nH]c2c(CN3CCC(c4ncon4)CC3)cccc2c1C
InChIInChI=1S/C18H22N4O/c1-12-13(2)20-17-15(4-3-5-16(12)17)10-22-8-6-14(7-9-22)18-19-11-23-21-18/h3-5,11,14,20H,6-10H2,1-2H3
InChIKeyNSCZQYFSMHUNGO-UHFFFAOYSA-N
XLogP3.55
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole (CID 77097556) is 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole is Cc1[nH]c2c(CN3CCC(c4ncon4)CC3)cccc2c1C.
What is the InChIKey of 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is NSCZQYFSMHUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-13(2)20-17-15(4-3-5-16(12)17)10-22-8-6-14(7-9-22)18-19-11-23-21-18/h3-5,11,14,20H,6-10H2,1-2H3.
What are the key properties of 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 310.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 77097556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).