(3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone

C26H29N5O4 — CID 50827770

IUPAC(3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2)c1
InChIInChI=1S/C26H29N5O4/c1-34-22-7-5-6-20(18-22)25(32)30-14-16-31(17-15-30)26(33)24-27-23(28-35-24)19-8-10-21(11-9-19)29-12-3-2-4-13-29/h5-11,18H,2-4,12-17H2,1H3
InChIKeyRQKNHIVRCMRHFL-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.33
Rot. Bonds5

About (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone (PubChem CID 50827770) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
PubChem CID50827770
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name(3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2)c1
InChIInChI=1S/C26H29N5O4/c1-34-22-7-5-6-20(18-22)25(32)30-14-16-31(17-15-30)26(33)24-27-23(28-35-24)19-8-10-21(11-9-19)29-12-3-2-4-13-29/h5-11,18H,2-4,12-17H2,1H3
InChIKeyRQKNHIVRCMRHFL-UHFFFAOYSA-N
XLogP3.33
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53041905
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747
3-[4-(azepan-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828022
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 50827918
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
1-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 50827749
(4-fluorophenyl)-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827967
(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041970

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone (CID 50827770) is (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone?
The InChIKey is RQKNHIVRCMRHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-34-22-7-5-6-20(18-22)25(32)30-14-16-31(17-15-30)26(33)24-27-23(28-35-24)19-8-10-21(11-9-19)29-12-3-2-4-13-29/h5-11,18H,2-4,12-17H2,1H3.
What are the key properties of (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone has a molecular weight of 475.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 50827770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).