tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

C25H29NO4 — CID 69224292

IUPACtert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C25H29NO4/c1-25(2,3)30-24(27)26-12-10-22(21-11-13-28-17-21)23(15-26)29-16-18-8-9-19-6-4-5-7-20(19)14-18/h4-9,11,13-14,17,22-23H,10,12,15-16H2,1-3H3
InChIKeyJNXCTDOPCMZSDT-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.74
Rot. Bonds4

About tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (PubChem CID 69224292) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
PubChem CID69224292
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Nametert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C25H29NO4/c1-25(2,3)30-24(27)26-12-10-22(21-11-13-28-17-21)23(15-26)29-16-18-8-9-19-6-4-5-7-20(19)14-18/h4-9,11,13-14,17,22-23H,10,12,15-16H2,1-3H3
InChIKeyJNXCTDOPCMZSDT-UHFFFAOYSA-N
XLogP5.74
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (CID 69224292) is tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccc3ccccc3c2)C1.
What is the InChIKey of tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The InChIKey is JNXCTDOPCMZSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-25(2,3)30-24(27)26-12-10-22(21-11-13-28-17-21)23(15-26)29-16-18-8-9-19-6-4-5-7-20(19)14-18/h4-9,11,13-14,17,22-23H,10,12,15-16H2,1-3H3.
What are the key properties of tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 407.51 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 69224292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).