tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate

C24H29N3O6S — CID 51354865

IUPACtert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1OC
InChIInChI=1S/C24H29N3O6S/c1-24(2,3)33-23(29)26-10-8-15(9-11-26)32-16-6-7-17-18(12-16)27(14-25-17)20-13-19(30-4)21(34-20)22(28)31-5/h6-7,12-15H,8-11H2,1-5H3
InChIKeyYJTKSQDFOXYABC-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.66
Rot. Bonds5

About tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate (PubChem CID 51354865) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate
PubChem CID51354865
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Nametert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1OC
InChIInChI=1S/C24H29N3O6S/c1-24(2,3)33-23(29)26-10-8-15(9-11-26)32-16-6-7-17-18(12-16)27(14-25-17)20-13-19(30-4)21(34-20)22(28)31-5/h6-7,12-15H,8-11H2,1-5H3
InChIKeyYJTKSQDFOXYABC-UHFFFAOYSA-N
XLogP4.66
TPSA92.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

tert-butyl 4-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]-5-methoxycarbonylthiophen-2-yl]benzimidazol-5-yl]piperidine-1-carboxylate
CID 59821051
tert-butyl 4-[[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]-5-methoxycarbonylthiophen-2-yl]benzimidazol-5-yl]-difluoromethyl]piperidine-1-carboxylate
CID 59821065
3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
CID 70947408
tert-butyl 4-[4-amino-3-[[5-methoxycarbonyl-4-(2-trimethylsilylethoxy)thiophen-2-yl]amino]phenoxy]piperidine-1-carboxylate
CID 59821171
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl 4-[2-chloro-3-[(1R)-1-[2-methoxycarbonyl-5-[5-(6-methyl-3-pyridinyl)benzimidazol-1-yl]thiophen-3-yl]oxyethyl]phenoxy]piperidine-1-carboxylate
CID 68567396
2-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 18914169
tert-butyl 4-[4-[1,3-didiazo-3-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-2-oxopropyl]-3-methoxyphenoxy]piperidine-1-carboxylate
CID 54050193
tert-butyl 2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzimidazole-1-carboxylate
CID 22100861
methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-1H-indole-2-carboxylate
CID 53487119
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate (CID 51354865) is tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate is COC(=O)c1sc(-n2cnc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1OC.
What is the InChIKey of tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate?
The InChIKey is YJTKSQDFOXYABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-24(2,3)33-23(29)26-10-8-15(9-11-26)32-16-6-7-17-18(12-16)27(14-25-17)20-13-19(30-4)21(34-20)22(28)31-5/h6-7,12-15H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(4-methoxy-5-methoxycarbonylthiophen-2-yl)benzimidazol-5-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 51354865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).