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

C17H21N3O3S — CID 71810013

IUPAC2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3nccs3)CC2)c1OC
InChIInChI=1S/C17H21N3O3S/c1-22-14-5-3-4-13(15(14)23-2)16(21)19-12-6-9-20(10-7-12)17-18-8-11-24-17/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyLGINZMCBTTYGMB-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.56
Rot. Bonds5

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

2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (PubChem CID 71810013) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
PubChem CID71810013
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3nccs3)CC2)c1OC
InChIInChI=1S/C17H21N3O3S/c1-22-14-5-3-4-13(15(14)23-2)16(21)19-12-6-9-20(10-7-12)17-18-8-11-24-17/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyLGINZMCBTTYGMB-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)piperidin-4-yl]benzamide
CID 90597214
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (CID 71810013) is 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(c3nccs3)CC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The InChIKey is LGINZMCBTTYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-14-5-3-4-13(15(14)23-2)16(21)19-12-6-9-20(10-7-12)17-18-8-11-24-17/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
2,3-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 2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 71810013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).