4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C21H29N3O3S — CID 26331136

IUPAC4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)cs2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N3O3S/c1-14(2)24-9-7-17(8-10-24)27-19-11-16(5-6-18(19)26-4)21(25)22-12-20-23-15(3)13-28-20/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,22,25)
InChIKeyXRYBAVMFQNARJM-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.64
Rot. Bonds7

About 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 26331136) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID26331136
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)cs2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N3O3S/c1-14(2)24-9-7-17(8-10-24)27-19-11-16(5-6-18(19)26-4)21(25)22-12-20-23-15(3)13-28-20/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,22,25)
InChIKeyXRYBAVMFQNARJM-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 26331136) is 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCc2nc(C)cs2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is XRYBAVMFQNARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-14(2)24-9-7-17(8-10-24)27-19-11-16(5-6-18(19)26-4)21(25)22-12-20-23-15(3)13-28-20/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,22,25).
What are the key properties of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 403.55 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 26331136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).