2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone

C23H25N3O3S — CID 121069906

IUPAC2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCC(c3nnc(-c4ccccc4OC)s3)CC2)c1
InChIInChI=1S/C23H25N3O3S/c1-28-18-7-5-6-16(14-18)15-21(27)26-12-10-17(11-13-26)22-24-25-23(30-22)19-8-3-4-9-20(19)29-2/h3-9,14,17H,10-13,15H2,1-2H3
InChIKeyQNSIPGSCXCBLAD-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.17
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone

2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 121069906) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID121069906
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCC(c3nnc(-c4ccccc4OC)s3)CC2)c1
InChIInChI=1S/C23H25N3O3S/c1-28-18-7-5-6-16(14-18)15-21(27)26-12-10-17(11-13-26)22-24-25-23(30-22)19-8-3-4-9-20(19)29-2/h3-9,14,17H,10-13,15H2,1-2H3
InChIKeyQNSIPGSCXCBLAD-UHFFFAOYSA-N
XLogP4.17
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 121069874
(5-bromofuran-2-yl)-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
CID 121069876
3-[2-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121069843
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 121069842
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
CID 121069891
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
2-(3-methoxyphenyl)-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096693
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70758401
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
CID 108935442
2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone (CID 121069906) is 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone is COc1cccc(CC(=O)N2CCC(c3nnc(-c4ccccc4OC)s3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is QNSIPGSCXCBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-28-18-7-5-6-16(14-18)15-21(27)26-12-10-17(11-13-26)22-24-25-23(30-22)19-8-3-4-9-20(19)29-2/h3-9,14,17H,10-13,15H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 423.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 121069906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).