[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C18H18F2N2O5 — CID 17461515

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O5/c1-25-15-11-12(4-5-13(15)27-18(19)20)16(23)21-6-8-22(9-7-21)17(24)14-3-2-10-26-14/h2-5,10-11,18H,6-9H2,1H3
InChIKeyFQOQINYXYICMGX-UHFFFAOYSA-N
MW380.35 g/mol
LogP2.49
Rot. Bonds5

About [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 17461515) has the molecular formula C18H18F2N2O5 and a molecular weight of 380.35 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID17461515
Molecular FormulaC18H18F2N2O5
Molecular Weight380.35 g/mol
Exact Mass380.12
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O5/c1-25-15-11-12(4-5-13(15)27-18(19)20)16(23)21-6-8-22(9-7-21)17(24)14-3-2-10-26-14/h2-5,10-11,18H,6-9H2,1H3
InChIKeyFQOQINYXYICMGX-UHFFFAOYSA-N
XLogP2.49
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378219
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105975
[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-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55826399
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27563113
(3S,4S)-1-[4-(difluoromethoxy)-3-methoxybenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952594
[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17476869
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 120657561
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 17461515) is [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is FQOQINYXYICMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O5/c1-25-15-11-12(4-5-13(15)27-18(19)20)16(23)21-6-8-22(9-7-21)17(24)14-3-2-10-26-14/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 380.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17461515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).