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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,1-N',1-N'-tetramethylspiro[1H-2-benzofuran-3,4'-piperidine]-1,1'-dicarboxamide
CID 118739574
ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 69265121
(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol
CID 15741867
1-tert-butylspiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90970065
1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 118739576
1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10959541
N,N-dimethyl-1'-(1-methyl-1,2,4-triazole-3-carbonyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680042
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
CID 83854136
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680767
N,N-dimethyl-1'-[(1-methylimidazol-2-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 134075955
2-[(2-chloro-5-hydroxyphenyl)methyl]-3-[1-(hydroxymethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl]-N,N-dimethylpropanamide
CID 58948206
4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate
CID 22256684

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).