2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone

C23H31N3O5 — CID 3312454

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCOCCOCCn1ccnc1C1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C23H31N3O5/c1-2-28-15-16-29-14-13-25-12-9-24-22(25)18-7-10-26(11-8-18)23(27)21-17-30-19-5-3-4-6-20(19)31-21/h3-6,9,12,18,21H,2,7-8,10-11,13-17H2,1H3
InChIKeyRYVRKHIJOIXYDI-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.48
Rot. Bonds9

About 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone

2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 3312454) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID3312454
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCOCCOCCn1ccnc1C1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C23H31N3O5/c1-2-28-15-16-29-14-13-25-12-9-24-22(25)18-7-10-26(11-8-18)23(27)21-17-30-19-5-3-4-6-20(19)31-21/h3-6,9,12,18,21H,2,7-8,10-11,13-17H2,1H3
InChIKeyRYVRKHIJOIXYDI-UHFFFAOYSA-N
XLogP2.48
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3860958
ethyl 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carboxylate
CID 756603
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818054
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 93326736
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855939
2-ethoxy-1-[4-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 70712099
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3719755
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
CID 154849569
ethyl 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 67447352
2,3-dihydro-1,4-benzodioxin-3-yl-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501581

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 3312454) is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone is CCOCCOCCn1ccnc1C1CCN(C(=O)C2COc3ccccc3O2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is RYVRKHIJOIXYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-2-28-15-16-29-14-13-25-12-9-24-22(25)18-7-10-26(11-8-18)23(27)21-17-30-19-5-3-4-6-20(19)31-21/h3-6,9,12,18,21H,2,7-8,10-11,13-17H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3312454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).