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

C12H20N2O2 — CID 107487378

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCCO1
InChIInChI=1S/C12H20N2O2/c15-12(11-2-1-9-16-11)14-8-5-10-3-6-13-7-4-10/h3,11,13H,1-2,4-9H2,(H,14,15)
InChIKeyHWYBSZBADQJRPY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.59
Rot. Bonds4

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

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide (PubChem CID 107487378) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide
PubChem CID107487378
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCCO1
InChIInChI=1S/C12H20N2O2/c15-12(11-2-1-9-16-11)14-8-5-10-3-6-13-7-4-10/h3,11,13H,1-2,4-9H2,(H,14,15)
InChIKeyHWYBSZBADQJRPY-UHFFFAOYSA-N
XLogP0.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide
CID 107487404
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
CID 107487262
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 107487064
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 110789726
(2R)-N-but-3-enyloxolane-2-carboxamide
CID 104861411
(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
CID 104856278
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113065889
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
CID 115747744
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486641

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide (CID 107487378) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide is O=C(NCCC1=CCNCC1)C1CCCO1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is HWYBSZBADQJRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(11-2-1-9-16-11)14-8-5-10-3-6-13-7-4-10/h3,11,13H,1-2,4-9H2,(H,14,15).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 107487378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).