cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

C23H26N4O3 — CID 44629067

IUPACcyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESO=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C23H26N4O3/c28-23(29-18-7-2-1-3-8-18)27-14-12-17(13-15-27)22-25-21(26-30-22)20-11-10-16-6-4-5-9-19(16)24-20/h4-6,9-11,17-18H,1-3,7-8,12-15H2
InChIKeyBYZADBZMIADUFU-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.93
Rot. Bonds3

About cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (PubChem CID 44629067) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
PubChem CID44629067
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Namecyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESO=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C23H26N4O3/c28-23(29-18-7-2-1-3-8-18)27-14-12-17(13-15-27)22-25-21(26-30-22)20-11-10-16-6-4-5-9-19(16)24-20/h4-6,9-11,17-18H,1-3,7-8,12-15H2
InChIKeyBYZADBZMIADUFU-UHFFFAOYSA-N
XLogP4.93
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (CID 44629067) is cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is O=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The InChIKey is BYZADBZMIADUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-23(29-18-7-2-1-3-8-18)27-14-12-17(13-15-27)22-25-21(26-30-22)20-11-10-16-6-4-5-9-19(16)24-20/h4-6,9-11,17-18H,1-3,7-8,12-15H2.
What are the key properties of cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 44629067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).