(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone

C24H25N3O5S — CID 37435693

IUPAC(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4cscn4)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-30-20-6-3-17(4-7-20)23(28)26-9-11-27(12-10-26)24(29)18-5-8-21(22(13-18)31-2)32-14-19-15-33-16-25-19/h3-8,13,15-16H,9-12,14H2,1-2H3
InChIKeyPLKGTGXOJYBTLD-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.34
Rot. Bonds7

About (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone (PubChem CID 37435693) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
PubChem CID37435693
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4cscn4)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-30-20-6-3-17(4-7-20)23(28)26-9-11-27(12-10-26)24(29)18-5-8-21(22(13-18)31-2)32-14-19-15-33-16-25-19/h3-8,13,15-16H,9-12,14H2,1-2H3
InChIKeyPLKGTGXOJYBTLD-UHFFFAOYSA-N
XLogP3.34
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-diazepan-1-yl-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119418599
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 120813913
(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475322
[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 39696938
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119469673
2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid
CID 125120187
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119469672
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 40953818

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone (CID 37435693) is (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4cscn4)c(OC)c3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The InChIKey is PLKGTGXOJYBTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-30-20-6-3-17(4-7-20)23(28)26-9-11-27(12-10-26)24(29)18-5-8-21(22(13-18)31-2)32-14-19-15-33-16-25-19/h3-8,13,15-16H,9-12,14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone has a molecular weight of 467.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 37435693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).