2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C25H30N4O2 — CID 44629066

IUPAC2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H30N4O2/c30-23(17-18-7-3-1-2-4-8-18)29-15-13-20(14-16-29)25-27-24(28-31-25)22-12-11-19-9-5-6-10-21(19)26-22/h5-6,9-12,18,20H,1-4,7-8,13-17H2
InChIKeyJUHOWXARVPCJAC-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.35
Rot. Bonds4

About 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 44629066) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID44629066
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H30N4O2/c30-23(17-18-7-3-1-2-4-8-18)29-15-13-20(14-16-29)25-27-24(28-31-25)22-12-11-19-9-5-6-10-21(19)26-22/h5-6,9-12,18,20H,1-4,7-8,13-17H2
InChIKeyJUHOWXARVPCJAC-UHFFFAOYSA-N
XLogP5.35
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 44629066) is 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is JUHOWXARVPCJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-23(17-18-7-3-1-2-4-8-18)29-15-13-20(14-16-29)25-27-24(28-31-25)22-12-11-19-9-5-6-10-21(19)26-22/h5-6,9-12,18,20H,1-4,7-8,13-17H2.
What are the key properties of 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 418.54 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 44629066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).