(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

C15H21BrN2O2 — CID 63621547

IUPAC(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(OC)ccc2Br)CC1C
InChIInChI=1S/C15H21BrN2O2/c1-4-17-7-8-18(10-11(17)2)15(19)13-9-12(20-3)5-6-14(13)16/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyBWSYRQBBTVAADA-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.62
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 63621547) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID63621547
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(OC)ccc2Br)CC1C
InChIInChI=1S/C15H21BrN2O2/c1-4-17-7-8-18(10-11(17)2)15(19)13-9-12(20-3)5-6-14(13)16/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyBWSYRQBBTVAADA-UHFFFAOYSA-N
XLogP2.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
(2-bromo-5-fluorophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55216223
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
(2-bromo-5-methoxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584657
(2-bromo-5-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482586
(2-bromo-5-methoxyphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114682915
2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
CID 68777901
(2-bromo-5-methoxyphenyl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
CID 122151894
(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 62612905
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-methoxyphenyl)methanone
CID 60630518

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 63621547) is (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(OC)ccc2Br)CC1C.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is BWSYRQBBTVAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-17-7-8-18(10-11(17)2)15(19)13-9-12(20-3)5-6-14(13)16/h5-6,9,11H,4,7-8,10H2,1-3H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 341.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63621547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).