2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

C19H19Cl2NO5 — CID 46609958

IUPAC2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCCOc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19Cl2NO5/c20-14-3-1-4-15(21)17(14)26-11-12-27-19(24)13-6-8-22(9-7-13)18(23)16-5-2-10-25-16/h1-5,10,13H,6-9,11-12H2
InChIKeyJNHAZLVXZJSDEA-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.06
Rot. Bonds6

About 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 46609958) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID46609958
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCCOc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19Cl2NO5/c20-14-3-1-4-15(21)17(14)26-11-12-27-19(24)13-6-8-22(9-7-13)18(23)16-5-2-10-25-16/h1-5,10,13H,6-9,11-12H2
InChIKeyJNHAZLVXZJSDEA-UHFFFAOYSA-N
XLogP4.06
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378115
2-(2,6-dichlorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 30511430
(4-bromo-2-chlorophenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 16564103
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35377549
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 46609958) is 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is O=C(OCCOc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is JNHAZLVXZJSDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c20-14-3-1-4-15(21)17(14)26-11-12-27-19(24)13-6-8-22(9-7-13)18(23)16-5-2-10-25-16/h1-5,10,13H,6-9,11-12H2.
What are the key properties of 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 412.27 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 46609958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).