tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C24H33N3O5S — CID 86694587

IUPACtert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1
InChIInChI=1S/C24H33N3O5S/c1-23(2,3)32-22(28)26-12-8-24(4,9-13-26)21-15-18-14-19(25-16-20(18)31-21)17-6-10-27(11-7-17)33(5,29)30/h6,14-16H,7-13H2,1-5H3
InChIKeyXCGFWKLJULHLIX-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 86694587) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID86694587
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Nametert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1
InChIInChI=1S/C24H33N3O5S/c1-23(2,3)32-22(28)26-12-8-24(4,9-13-26)21-15-18-14-19(25-16-20(18)31-21)17-6-10-27(11-7-17)33(5,29)30/h6,14-16H,7-13H2,1-5H3
InChIKeyXCGFWKLJULHLIX-UHFFFAOYSA-N
XLogP4.17
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 86694587) is tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is XCGFWKLJULHLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-23(2,3)32-22(28)26-12-8-24(4,9-13-26)21-15-18-14-19(25-16-20(18)31-21)17-6-10-27(11-7-17)33(5,29)30/h6,14-16H,7-13H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 475.61 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 86694587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).