2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C15H24N4O — CID 61377470

IUPAC2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCNc1ccccc1C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C15H24N4O/c1-16-14-6-4-3-5-13(14)15(20)17-7-8-19-11-9-18(2)10-12-19/h3-6,16H,7-12H2,1-2H3,(H,17,20)
InChIKeyLJOBFZOZDBBYEM-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.71
Rot. Bonds5

About 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 61377470) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID61377470
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCNc1ccccc1C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C15H24N4O/c1-16-14-6-4-3-5-13(14)15(20)17-7-8-19-11-9-18(2)10-12-19/h3-6,16H,7-12H2,1-2H3,(H,17,20)
InChIKeyLJOBFZOZDBBYEM-UHFFFAOYSA-N
XLogP0.71
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide
CID 135273268
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 120848299
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide
CID 159903319
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 61377470) is 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is CNc1ccccc1C(=O)NCCN1CCN(C)CC1.
What is the InChIKey of 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is LJOBFZOZDBBYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-16-14-6-4-3-5-13(14)15(20)17-7-8-19-11-9-18(2)10-12-19/h3-6,16H,7-12H2,1-2H3,(H,17,20).
What are the key properties of 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 61377470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).