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

C17H18N4O2 — CID 42536191

IUPAC[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCCCC1
InChIInChI=1S/C17H18N4O2/c22-17(21-8-4-1-5-9-21)16-19-15(20-23-16)10-12-11-18-14-7-3-2-6-13(12)14/h2-3,6-7,11,18H,1,4-5,8-10H2
InChIKeyNYVBPCJAAHBOFL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.77
Rot. Bonds3

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

[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42536191) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID42536191
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCCCC1
InChIInChI=1S/C17H18N4O2/c22-17(21-8-4-1-5-9-21)16-19-15(20-23-16)10-12-11-18-14-7-3-2-6-13(12)14/h2-3,6-7,11,18H,1,4-5,8-10H2
InChIKeyNYVBPCJAAHBOFL-UHFFFAOYSA-N
XLogP2.77
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone (CID 42536191) is [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone is O=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCCCC1.
What is the InChIKey of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is NYVBPCJAAHBOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(21-8-4-1-5-9-21)16-19-15(20-23-16)10-12-11-18-14-7-3-2-6-13(12)14/h2-3,6-7,11,18H,1,4-5,8-10H2.
What are the key properties of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 310.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42536191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).