N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide

C17H26N4O2 — CID 120980533

IUPACN-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N4O2/c1-18-17(23)15-5-3-14(4-6-15)13-20(2)10-7-16(22)21-11-8-19-9-12-21/h3-6,19H,7-13H2,1-2H3,(H,18,23)
InChIKeyVYPWZTBMVOZGDQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.30
Rot. Bonds6

About N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide

N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide (PubChem CID 120980533) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
PubChem CID120980533
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N4O2/c1-18-17(23)15-5-3-14(4-6-15)13-20(2)10-7-16(22)21-11-8-19-9-12-21/h3-6,19H,7-13H2,1-2H3,(H,18,23)
InChIKeyVYPWZTBMVOZGDQ-UHFFFAOYSA-N
XLogP0.30
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775
4-bromo-N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779515
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
4-[[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzonitrile
CID 56796714

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide (CID 120980533) is N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CCC(=O)N2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide?
The InChIKey is VYPWZTBMVOZGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-18-17(23)15-5-3-14(4-6-15)13-20(2)10-7-16(22)21-11-8-19-9-12-21/h3-6,19H,7-13H2,1-2H3,(H,18,23).
What are the key properties of N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide?
N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide is sourced from PubChem (CID 120980533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).