2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C18H21BrN4O — CID 141220319

IUPAC2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN4O/c1-21(16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3
InChIKeyUEINZXUPMNTEAP-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 141220319) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID141220319
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN4O/c1-21(16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3
InChIKeyUEINZXUPMNTEAP-UHFFFAOYSA-N
XLogP2.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
CID 25220077
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 55703482
N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
CID 44760715
N-(4-cyanophenyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113181086
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N-benzyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113161227
N,4-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2953239
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 141220319) is 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UEINZXUPMNTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-21(16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 389.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 141220319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).