3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

C22H29N3O4S — CID 24792124

IUPAC3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCCN(C(=O)c3csc(C(C)C)n3)C2)c1
InChIInChI=1S/C22H29N3O4S/c1-14(2)21-24-19(13-30-21)22(27)25-7-5-6-15(12-25)11-23-20(26)16-8-17(28-3)10-18(9-16)29-4/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,23,26)
InChIKeyUVTHQDKQHYMDFH-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.57
Rot. Bonds7

About 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 24792124) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID24792124
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCCN(C(=O)c3csc(C(C)C)n3)C2)c1
InChIInChI=1S/C22H29N3O4S/c1-14(2)21-24-19(13-30-21)22(27)25-7-5-6-15(12-25)11-23-20(26)16-8-17(28-3)10-18(9-16)29-4/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,23,26)
InChIKeyUVTHQDKQHYMDFH-UHFFFAOYSA-N
XLogP3.57
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (CID 24792124) is 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is COc1cc(OC)cc(C(=O)NCC2CCCN(C(=O)c3csc(C(C)C)n3)C2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is UVTHQDKQHYMDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-14(2)21-24-19(13-30-21)22(27)25-7-5-6-15(12-25)11-23-20(26)16-8-17(28-3)10-18(9-16)29-4/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,23,26).
What are the key properties of 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 24792124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).