(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone

C23H32N6O2 — CID 53175169

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESO=C(c1nc(-c2ccnc(N3CCCCC3)c2)no1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H32N6O2/c30-23(29-15-13-27(14-16-29)19-7-3-1-4-8-19)22-25-21(26-31-22)18-9-10-24-20(17-18)28-11-5-2-6-12-28/h9-10,17,19H,1-8,11-16H2
InChIKeyKEXUVKFCWLHMLC-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.21
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 53175169) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID53175169
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESO=C(c1nc(-c2ccnc(N3CCCCC3)c2)no1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H32N6O2/c30-23(29-15-13-27(14-16-29)19-7-3-1-4-8-19)22-25-21(26-31-22)18-9-10-24-20(17-18)28-11-5-2-6-12-28/h9-10,17,19H,1-8,11-16H2
InChIKeyKEXUVKFCWLHMLC-UHFFFAOYSA-N
XLogP3.21
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone (CID 53175169) is (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone is O=C(c1nc(-c2ccnc(N3CCCCC3)c2)no1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is KEXUVKFCWLHMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c30-23(29-15-13-27(14-16-29)19-7-3-1-4-8-19)22-25-21(26-31-22)18-9-10-24-20(17-18)28-11-5-2-6-12-28/h9-10,17,19H,1-8,11-16H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 424.55 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 53175169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).