tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate

C26H30N2O5S — CID 122441955

IUPACtert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(OCc3ccccc3)c3ncccc23)CC1
InChIInChI=1S/C26H30N2O5S/c1-26(2,3)33-25(29)28-16-13-20(14-17-28)34(30,31)23-12-11-22(24-21(23)10-7-15-27-24)32-18-19-8-5-4-6-9-19/h4-12,15,20H,13-14,16-18H2,1-3H3
InChIKeyWFWFCTFWPVWHMC-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.99
Rot. Bonds5

About tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate

tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate (PubChem CID 122441955) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate
PubChem CID122441955
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Nametert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(OCc3ccccc3)c3ncccc23)CC1
InChIInChI=1S/C26H30N2O5S/c1-26(2,3)33-25(29)28-16-13-20(14-17-28)34(30,31)23-12-11-22(24-21(23)10-7-15-27-24)32-18-19-8-5-4-6-9-19/h4-12,15,20H,13-14,16-18H2,1-3H3
InChIKeyWFWFCTFWPVWHMC-UHFFFAOYSA-N
XLogP4.99
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate (CID 122441955) is tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(OCc3ccccc3)c3ncccc23)CC1.
What is the InChIKey of tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate?
The InChIKey is WFWFCTFWPVWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-26(2,3)33-25(29)28-16-13-20(14-17-28)34(30,31)23-12-11-22(24-21(23)10-7-15-27-24)32-18-19-8-5-4-6-9-19/h4-12,15,20H,13-14,16-18H2,1-3H3.
What are the key properties of tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate?
tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate has a molecular weight of 482.60 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(8-phenylmethoxyquinolin-5-yl)sulfonylpiperidine-1-carboxylate is sourced from PubChem (CID 122441955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).