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

C12H20N2O3 — CID 107487404

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1COCCO1
InChIInChI=1S/C12H20N2O3/c15-12(11-9-16-7-8-17-11)14-6-3-10-1-4-13-5-2-10/h1,11,13H,2-9H2,(H,14,15)
InChIKeyQNGQDICKKPDOAL-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.17
Rot. Bonds4

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

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide (PubChem CID 107487404) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide
PubChem CID107487404
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1COCCO1
InChIInChI=1S/C12H20N2O3/c15-12(11-9-16-7-8-17-11)14-6-3-10-1-4-13-5-2-10/h1,11,13H,2-9H2,(H,14,15)
InChIKeyQNGQDICKKPDOAL-UHFFFAOYSA-N
XLogP-0.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.17
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

2-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489787
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63875671
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone
CID 106313817
2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486714
2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107487203
2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107487454
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 107487530
4-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]morpholine-3,5-dione
CID 107489933
2-(2-methoxyethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 108049085
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-4-yloxyethanone
CID 113581351
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 113581370
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 114172308

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide (CID 107487404) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide is O=C(NCCC1=CCNCC1)C1COCCO1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
The InChIKey is QNGQDICKKPDOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-12(11-9-16-7-8-17-11)14-6-3-10-1-4-13-5-2-10/h1,11,13H,2-9H2,(H,14,15).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.17, 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]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 107487404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).