3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide

C17H21N3O3S — CID 90597214

IUPAC3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccs3)CC2)cc1OC
InChIInChI=1S/C17H21N3O3S/c1-22-14-4-3-12(11-15(14)23-2)16(21)19-13-5-8-20(9-6-13)17-18-7-10-24-17/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyRAKNRUZNKPBFIT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.56
Rot. Bonds5

About 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide

3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (PubChem CID 90597214) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
PubChem CID90597214
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccs3)CC2)cc1OC
InChIInChI=1S/C17H21N3O3S/c1-22-14-4-3-12(11-15(14)23-2)16(21)19-13-5-8-20(9-6-13)17-18-7-10-24-17/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyRAKNRUZNKPBFIT-UHFFFAOYSA-N
XLogP2.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875383
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (CID 90597214) is 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3nccs3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The InChIKey is RAKNRUZNKPBFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-14-4-3-12(11-15(14)23-2)16(21)19-13-5-8-20(9-6-13)17-18-7-10-24-17/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 90597214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).