(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone

C17H20N4O2 — CID 136564929

IUPAC(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
SMILESCCn1cc(C(=O)N2CCCC3(C2)OCc2ccccc23)nn1
InChIInChI=1S/C17H20N4O2/c1-2-21-10-15(18-19-21)16(22)20-9-5-8-17(12-20)14-7-4-3-6-13(14)11-23-17/h3-4,6-7,10H,2,5,8-9,11-12H2,1H3
InChIKeyYJDVGCISPRDPCT-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.96
Rot. Bonds2

About (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone

(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone (PubChem CID 136564929) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
PubChem CID136564929
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
SMILESCCn1cc(C(=O)N2CCCC3(C2)OCc2ccccc23)nn1
InChIInChI=1S/C17H20N4O2/c1-2-21-10-15(18-19-21)16(22)20-9-5-8-17(12-20)14-7-4-3-6-13(14)11-23-17/h3-4,6-7,10H,2,5,8-9,11-12H2,1H3
InChIKeyYJDVGCISPRDPCT-UHFFFAOYSA-N
XLogP1.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 127918025
[5-methyl-1-(3-methylphenyl)triazol-4-yl]-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 127919418
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
1'-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 154743570
pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
CID 127918005
3-(3-but-3-ynyldiazirin-3-yl)-1-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylpropan-1-one
CID 167746207
N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
CID 126795764
(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
CID 141133211
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
2-phenylsulfanyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]ethanone
CID 124618956
(3R)-1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-azepane]
CID 59320735
(1-pyridin-3-ylcyclobutyl)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 141133219

Frequently Asked Questions

What is the IUPAC name of (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
The IUPAC name of (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone (CID 136564929) is (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
The canonical SMILES for (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone is CCn1cc(C(=O)N2CCCC3(C2)OCc2ccccc23)nn1.
What is the InChIKey of (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
The InChIKey is YJDVGCISPRDPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-21-10-15(18-19-21)16(22)20-9-5-8-17(12-20)14-7-4-3-6-13(14)11-23-17/h3-4,6-7,10H,2,5,8-9,11-12H2,1H3.
What are the key properties of (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 136564929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).