1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate

C15H18NO3- — CID 91666200

IUPAC1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
SMILESCCC1OC2(CCN(C(=O)[O-])CC2)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-13-11-5-3-4-6-12(11)15(19-13)7-9-16(10-8-15)14(17)18/h3-6,13H,2,7-10H2,1H3,(H,17,18)/p-1
InChIKeyIXJJRONYDMHCRR-UHFFFAOYSA-M
MW260.31 g/mol
LogP1.80
Rot. Bonds1

About 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate

1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate (PubChem CID 91666200) has the molecular formula C15H18NO3- and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Name1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
PubChem CID91666200
Molecular FormulaC15H18NO3-
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
SMILESCCC1OC2(CCN(C(=O)[O-])CC2)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-13-11-5-3-4-6-12(11)15(19-13)7-9-16(10-8-15)14(17)18/h3-6,13H,2,7-10H2,1H3,(H,17,18)/p-1
InChIKeyIXJJRONYDMHCRR-UHFFFAOYSA-M
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate (CID 91666200) is 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate is CCC1OC2(CCN(C(=O)[O-])CC2)c2ccccc21.
What is the InChIKey of 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
The InChIKey is IXJJRONYDMHCRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19NO3/c1-2-13-11-5-3-4-6-12(11)15(19-13)7-9-16(10-8-15)14(17)18/h3-6,13H,2,7-10H2,1H3,(H,17,18)/p-1.
What are the key properties of 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 91666200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).