2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

C18H18N2O4 — CID 167919075

IUPAC2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cc1ccc(O)cn1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C18H18N2O4/c21-14-5-3-12(19-11-14)10-17(22)20-13-4-6-15-16(9-13)24-18(23-15)7-1-2-8-18/h3-6,9,11,21H,1-2,7-8,10H2,(H,20,22)
InChIKeyVWWJUIQOGGHSBV-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.01
Rot. Bonds3

About 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (PubChem CID 167919075) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.

Molecular Properties

Compound Name2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
PubChem CID167919075
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cc1ccc(O)cn1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C18H18N2O4/c21-14-5-3-12(19-11-14)10-17(22)20-13-4-6-15-16(9-13)24-18(23-15)7-1-2-8-18/h3-6,9,11,21H,1-2,7-8,10H2,(H,20,22)
InChIKeyVWWJUIQOGGHSBV-UHFFFAOYSA-N
XLogP3.01
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78837912
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
2-(3-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 42280231
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17489362
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 55383002
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2,4-dihydroxybenzoate
CID 7522782
1-(1,3-oxazol-4-ylmethyl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 126804323
2-quinazolin-4-yloxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17415953
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-[4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoylamino)butyl]urea
CID 46786136
2-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17474217

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The IUPAC name of 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (CID 167919075) is 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.
What is the SMILES notation for 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The canonical SMILES for 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is O=C(Cc1ccc(O)cn1)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The InChIKey is VWWJUIQOGGHSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-14-5-3-12(19-11-14)10-17(22)20-13-4-6-15-16(9-13)24-18(23-15)7-1-2-8-18/h3-6,9,11,21H,1-2,7-8,10H2,(H,20,22).
What are the key properties of 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide has a molecular weight of 326.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is sourced from PubChem (CID 167919075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).