(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C17H19BrN2O3 — CID 46684611

IUPAC(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C17H19BrN2O3/c1-22-13-4-5-16(18)15(11-13)17(21)20-8-6-19(7-9-20)12-14-3-2-10-23-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyHJMAFUXWDRMYNO-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.01
Rot. Bonds4

About (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 46684611) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID46684611
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C17H19BrN2O3/c1-22-13-4-5-16(18)15(11-13)17(21)20-8-6-19(7-9-20)12-14-3-2-10-23-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyHJMAFUXWDRMYNO-UHFFFAOYSA-N
XLogP3.01
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 71808871
(2-bromo-5-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856193
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483280
(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4807090
(3-bromo-4-methoxyphenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3549117
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033
2-amino-1-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 66953172
[4-(furan-2-ylmethyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821355
[4-(furan-2-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone
CID 46536275
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 46684611) is (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is COc1ccc(Br)c(C(=O)N2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HJMAFUXWDRMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-22-13-4-5-16(18)15(11-13)17(21)20-8-6-19(7-9-20)12-14-3-2-10-23-14/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 379.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46684611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).