[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone

C20H23BrN2O5 — CID 38911866

IUPAC[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCOc1c(Br)cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC
InChIInChI=1S/C20H23BrN2O5/c1-3-10-28-18-15(21)12-14(13-17(18)26-2)19(24)22-6-8-23(9-7-22)20(25)16-5-4-11-27-16/h4-5,11-13H,3,6-10H2,1-2H3
InChIKeyFBDMMOMNPXPNLM-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.44
Rot. Bonds6

About [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 38911866) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID38911866
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC Name[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCOc1c(Br)cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC
InChIInChI=1S/C20H23BrN2O5/c1-3-10-28-18-15(21)12-14(13-17(18)26-2)19(24)22-6-8-23(9-7-22)20(25)16-5-4-11-27-16/h4-5,11-13H,3,6-10H2,1-2H3
InChIKeyFBDMMOMNPXPNLM-UHFFFAOYSA-N
XLogP3.44
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119518451
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone
CID 124611529
(4-benzylpiperidin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 35510412
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 26855910
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
(3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55822321
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316129
(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
CID 126375071

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 38911866) is [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone is CCCOc1c(Br)cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC.
What is the InChIKey of [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is FBDMMOMNPXPNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-3-10-28-18-15(21)12-14(13-17(18)26-2)19(24)22-6-8-23(9-7-22)20(25)16-5-4-11-27-16/h4-5,11-13H,3,6-10H2,1-2H3.
What are the key properties of [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 451.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 38911866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).