(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C20H21N5O4 — CID 110082710

IUPAC(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCCC2c2nnc(-c3cnccn3)o2)c1
InChIInChI=1S/C20H21N5O4/c1-27-13-6-7-17(28-2)14(11-13)20(26)25-10-4-3-5-16(25)19-24-23-18(29-19)15-12-21-8-9-22-15/h6-9,11-12,16H,3-5,10H2,1-2H3
InChIKeyRHMSSDVXSJKKER-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.91
Rot. Bonds5

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

(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110082710) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110082710
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCCC2c2nnc(-c3cnccn3)o2)c1
InChIInChI=1S/C20H21N5O4/c1-27-13-6-7-17(28-2)14(11-13)20(26)25-10-4-3-5-16(25)19-24-23-18(29-19)15-12-21-8-9-22-15/h6-9,11-12,16H,3-5,10H2,1-2H3
InChIKeyRHMSSDVXSJKKER-UHFFFAOYSA-N
XLogP2.91
TPSA103.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-ethylthiophen-3-yl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 155900871
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913590
(2,5-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218061
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92556137
[(2S)-2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355210
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 39910749
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80659468
(4-methylphenyl)-[(2S)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 124968761
2-[1-(2,5-dimethoxybenzoyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136858790
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
(2,4-dimethoxyphenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7416925

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 110082710) is (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CCCCC2c2nnc(-c3cnccn3)o2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RHMSSDVXSJKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-27-13-6-7-17(28-2)14(11-13)20(26)25-10-4-3-5-16(25)19-24-23-18(29-19)15-12-21-8-9-22-15/h6-9,11-12,16H,3-5,10H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 395.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110082710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).