4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide

C15H24N4O — CID 90338095

IUPAC4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
SMILESCNCc1ccc(C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C15H24N4O/c1-16-12-13-2-4-14(5-3-13)15(20)18-8-11-19-9-6-17-7-10-19/h2-5,16-17H,6-12H2,1H3,(H,18,20)
InChIKeyVQWCBRITPIZKQE-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.04
Rot. Bonds6

About 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide

4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 90338095) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID90338095
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
SMILESCNCc1ccc(C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C15H24N4O/c1-16-12-13-2-4-14(5-3-13)15(20)18-8-11-19-9-6-17-7-10-19/h2-5,16-17H,6-12H2,1H3,(H,18,20)
InChIKeyVQWCBRITPIZKQE-UHFFFAOYSA-N
XLogP0.04
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448903
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119448151
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448902
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-(3,3-dimethylbut-1-enyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 72568757
4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 59811465
4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119882002

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide (CID 90338095) is 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide is CNCc1ccc(C(=O)NCCN2CCNCC2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is VQWCBRITPIZKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-16-12-13-2-4-14(5-3-13)15(20)18-8-11-19-9-6-17-7-10-19/h2-5,16-17H,6-12H2,1H3,(H,18,20).
What are the key properties of 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide?
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 90338095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).