4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

C21H29N3O3S — CID 24816836

IUPAC4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nccs2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N3O3S/c1-14(2)24-10-7-17(8-11-24)27-19-13-16(5-6-18(19)26-4)20(25)23-15(3)21-22-9-12-28-21/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H,23,25)
InChIKeyHOQHZOWYMGLXON-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.89
Rot. Bonds7

About 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 24816836) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID24816836
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nccs2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N3O3S/c1-14(2)24-10-7-17(8-11-24)27-19-13-16(5-6-18(19)26-4)20(25)23-15(3)21-22-9-12-28-21/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H,23,25)
InChIKeyHOQHZOWYMGLXON-UHFFFAOYSA-N
XLogP3.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 24816836) is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2nccs2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is HOQHZOWYMGLXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-14(2)24-10-7-17(8-11-24)27-19-13-16(5-6-18(19)26-4)20(25)23-15(3)21-22-9-12-28-21/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H,23,25).
What are the key properties of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 403.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 24816836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).