N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C15H18N2O3 — CID 107487260

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O3/c18-15(17-8-5-11-3-6-16-7-4-11)12-1-2-13-14(9-12)20-10-19-13/h1-3,9,16H,4-8,10H2,(H,17,18)
InChIKeyGCLBXSWPHGPFMM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.45
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 107487260) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID107487260
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O3/c18-15(17-8-5-11-3-6-16-7-4-11)12-1-2-13-14(9-12)20-10-19-13/h1-3,9,16H,4-8,10H2,(H,17,18)
InChIKeyGCLBXSWPHGPFMM-UHFFFAOYSA-N
XLogP1.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107705356
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[4-(4-fluorophenyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 110288748
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743046
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-pent-4-ynyl-1,3-benzodioxole-5-carboxamide
CID 103708735
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 107487260) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCCC1=CCNCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GCLBXSWPHGPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15(17-8-5-11-3-6-16-7-4-11)12-1-2-13-14(9-12)20-10-19-13/h1-3,9,16H,4-8,10H2,(H,17,18).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 107487260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).