[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

C20H21F2NO6 — CID 35378219

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCOc1cc(COC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F
InChIInChI=1S/C20H21F2NO6/c1-26-17-11-13(4-5-15(17)29-20(21)22)12-28-19(25)14-6-8-23(9-7-14)18(24)16-3-2-10-27-16/h2-5,10-11,14,20H,6-9,12H2,1H3
InChIKeyAJEGAWZGNXUOKA-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.49
Rot. Bonds7

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 35378219) has the molecular formula C20H21F2NO6 and a molecular weight of 409.39 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID35378219
Molecular FormulaC20H21F2NO6
Molecular Weight409.39 g/mol
Exact Mass409.13
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCOc1cc(COC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F
InChIInChI=1S/C20H21F2NO6/c1-26-17-11-13(4-5-15(17)29-20(21)22)12-28-19(25)14-6-8-23(9-7-14)18(24)16-3-2-10-27-16/h2-5,10-11,14,20H,6-9,12H2,1H3
InChIKeyAJEGAWZGNXUOKA-UHFFFAOYSA-N
XLogP3.49
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
(4-cyano-2-methoxyphenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 43032473
methyl 1-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]acetyl]piperidine-4-carboxylate
CID 17481178
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46649817
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812332
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501305
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide
CID 9443217
[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609958

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 35378219) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is COc1cc(COC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is AJEGAWZGNXUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO6/c1-26-17-11-13(4-5-15(17)29-20(21)22)12-28-19(25)14-6-8-23(9-7-14)18(24)16-3-2-10-27-16/h2-5,10-11,14,20H,6-9,12H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 409.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 35378219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).