4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide

C28H33N3O3S — CID 71210197

IUPAC4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(c2nc(C(=O)CCc3cc(OC)ccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C28H33N3O3S/c1-3-15-29-28(33)31-16-13-21(14-17-31)27-30-25(19-35-27)26(32)12-9-22-18-23(34-2)10-11-24(22)20-7-5-4-6-8-20/h4-8,10-11,18-19,21H,3,9,12-17H2,1-2H3,(H,29,33)
InChIKeyZAYLVPSEXMTAJO-UHFFFAOYSA-N
MW491.66 g/mol
LogP5.93
Rot. Bonds9

About 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide

4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide (PubChem CID 71210197) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide
PubChem CID71210197
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(c2nc(C(=O)CCc3cc(OC)ccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C28H33N3O3S/c1-3-15-29-28(33)31-16-13-21(14-17-31)27-30-25(19-35-27)26(32)12-9-22-18-23(34-2)10-11-24(22)20-7-5-4-6-8-20/h4-8,10-11,18-19,21H,3,9,12-17H2,1-2H3,(H,29,33)
InChIKeyZAYLVPSEXMTAJO-UHFFFAOYSA-N
XLogP5.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209312
2-(1-hex-4-enoylpiperidin-4-yl)-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 72531405
N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methylbutylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208650
2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59210252
N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209189
2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59210058
N-(5-methoxy-2-phenylphenyl)-2-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209553
N-(4-methyl-2-phenylphenyl)-2-[1-(propylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209237
ethyl 2-[[4-[4-[(2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]acetate
CID 59210159
4-[4-[hydroxy-[2-[4-(trifluoromethoxy)phenyl]anilino]methyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide
CID 162580501
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 3343600
2-[1-(pentylcarbamoyl)piperidin-4-yl]-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59210136

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide (CID 71210197) is 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(c2nc(C(=O)CCc3cc(OC)ccc3-c3ccccc3)cs2)CC1.
What is the InChIKey of 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide?
The InChIKey is ZAYLVPSEXMTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-3-15-29-28(33)31-16-13-21(14-17-31)27-30-25(19-35-27)26(32)12-9-22-18-23(34-2)10-11-24(22)20-7-5-4-6-8-20/h4-8,10-11,18-19,21H,3,9,12-17H2,1-2H3,(H,29,33).
What are the key properties of 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide?
4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide has a molecular weight of 491.66 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(5-methoxy-2-phenylphenyl)propanoyl]-1,3-thiazol-2-yl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 71210197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).