2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone

C15H23N3O — CID 117408476

IUPAC2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCNCC(=O)c1ccccc1CN1CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-16-11-15(19)14-6-4-3-5-13(14)12-18-9-7-17(2)8-10-18/h3-6,16H,7-12H2,1-2H3
InChIKeyJZXRUBKGLACCJS-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.84
Rot. Bonds5

About 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone

2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (PubChem CID 117408476) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
PubChem CID117408476
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCNCC(=O)c1ccccc1CN1CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-16-11-15(19)14-6-4-3-5-13(14)12-18-9-7-17(2)8-10-18/h3-6,16H,7-12H2,1-2H3
InChIKeyJZXRUBKGLACCJS-UHFFFAOYSA-N
XLogP0.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 139934477
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
ethyl 6-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxohexanoate
CID 24725514
1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84657859
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
N-hydroxy-3-[4-[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 75077226
(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725495
(E)-3-[4-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid;dihydrochloride
CID 44819902
2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
CID 63569716
2,2-dimethyl-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanoic acid
CID 117469358
N-methyl-2-(piperazin-1-ylmethyl)benzamide
CID 82510273

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (CID 117408476) is 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone is CNCC(=O)c1ccccc1CN1CCN(C)CC1.
What is the InChIKey of 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The InChIKey is JZXRUBKGLACCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-11-15(19)14-6-4-3-5-13(14)12-18-9-7-17(2)8-10-18/h3-6,16H,7-12H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 117408476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).