(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

C19H21BrN2O2 — CID 110293154

IUPAC(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C1CN(C(=O)c2cccc(Br)c2)CCN1C
InChIInChI=1S/C19H21BrN2O2/c1-21-10-11-22(19(23)14-6-5-7-15(20)12-14)13-17(21)16-8-3-4-9-18(16)24-2/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyYAYJUOWESMSPFS-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.59
Rot. Bonds3

About (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 110293154) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
PubChem CID110293154
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C1CN(C(=O)c2cccc(Br)c2)CCN1C
InChIInChI=1S/C19H21BrN2O2/c1-21-10-11-22(19(23)14-6-5-7-15(20)12-14)13-17(21)16-8-3-4-9-18(16)24-2/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyYAYJUOWESMSPFS-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone
CID 124958777
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 108533598
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 125007704
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110109659
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
(3-bromophenyl)-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544504

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone (CID 110293154) is (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone is COc1ccccc1C1CN(C(=O)c2cccc(Br)c2)CCN1C.
What is the InChIKey of (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is YAYJUOWESMSPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-21-10-11-22(19(23)14-6-5-7-15(20)12-14)13-17(21)16-8-3-4-9-18(16)24-2/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 389.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 110293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).