5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole

C17H25N3O — CID 20672688

IUPAC5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole
SMILESCC(C)N1CCC(CCCc2ccc3nonc3c2)CC1
InChIInChI=1S/C17H25N3O/c1-13(2)20-10-8-14(9-11-20)4-3-5-15-6-7-16-17(12-15)19-21-18-16/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyFTMOADKQQZESNW-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.67
Rot. Bonds5

About 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole

5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole (PubChem CID 20672688) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole
PubChem CID20672688
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole
SMILESCC(C)N1CCC(CCCc2ccc3nonc3c2)CC1
InChIInChI=1S/C17H25N3O/c1-13(2)20-10-8-14(9-11-20)4-3-5-15-6-7-16-17(12-15)19-21-18-16/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyFTMOADKQQZESNW-UHFFFAOYSA-N
XLogP3.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole (CID 20672688) is 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole is CC(C)N1CCC(CCCc2ccc3nonc3c2)CC1.
What is the InChIKey of 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole?
The InChIKey is FTMOADKQQZESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20-10-8-14(9-11-20)4-3-5-15-6-7-16-17(12-15)19-21-18-16/h6-7,12-14H,3-5,8-11H2,1-2H3.
What are the key properties of 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole?
5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole has a molecular weight of 287.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 20672688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).