[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C24H28N6O3 — CID 53167015

IUPAC[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)o2)cc1
InChIInChI=1S/C24H28N6O3/c1-32-20-7-5-18(6-8-20)22-26-27-24(33-22)30-12-9-19(10-13-30)23(31)29-16-14-28(15-17-29)21-4-2-3-11-25-21/h2-8,11,19H,9-10,12-17H2,1H3
InChIKeyBYGHNZLWVLWFTF-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.71
Rot. Bonds5

About [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 53167015) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID53167015
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)o2)cc1
InChIInChI=1S/C24H28N6O3/c1-32-20-7-5-18(6-8-20)22-26-27-24(33-22)30-12-9-19(10-13-30)23(31)29-16-14-28(15-17-29)21-4-2-3-11-25-21/h2-8,11,19H,9-10,12-17H2,1H3
InChIKeyBYGHNZLWVLWFTF-UHFFFAOYSA-N
XLogP2.71
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 53167015) is [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)o2)cc1.
What is the InChIKey of [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BYGHNZLWVLWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-32-20-7-5-18(6-8-20)22-26-27-24(33-22)30-12-9-19(10-13-30)23(31)29-16-14-28(15-17-29)21-4-2-3-11-25-21/h2-8,11,19H,9-10,12-17H2,1H3.
What are the key properties of [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 448.53 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53167015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).