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

C16H23BrN2O2 — CID 50882665

IUPAC(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCc1cc(Br)c(OC)c(C(=O)N2CCN(CC)CC2)c1
InChIInChI=1S/C16H23BrN2O2/c1-4-12-10-13(15(21-3)14(17)11-12)16(20)19-8-6-18(5-2)7-9-19/h10-11H,4-9H2,1-3H3
InChIKeyHCJSQCAZJSOBIR-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.80
Rot. Bonds4

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

(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 50882665) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID50882665
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCc1cc(Br)c(OC)c(C(=O)N2CCN(CC)CC2)c1
InChIInChI=1S/C16H23BrN2O2/c1-4-12-10-13(15(21-3)14(17)11-12)16(20)19-8-6-18(5-2)7-9-19/h10-11H,4-9H2,1-3H3
InChIKeyHCJSQCAZJSOBIR-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
(3-bromo-2,5-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 30291282
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419
1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671557
(4-ethylpiperazin-1-yl)-(2-methoxy-3-nitro-5-propan-2-ylphenyl)methanone
CID 50883209
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110767784
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 171991868
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 50882665) is (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone is CCc1cc(Br)c(OC)c(C(=O)N2CCN(CC)CC2)c1.
What is the InChIKey of (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is HCJSQCAZJSOBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-4-12-10-13(15(21-3)14(17)11-12)16(20)19-8-6-18(5-2)7-9-19/h10-11H,4-9H2,1-3H3.
What are the key properties of (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 355.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 50882665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).