N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

C16H23N3O2 — CID 108944328

IUPACN-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-17-8-10-19(11-9-17)16(21)12-15(20)18(2)13-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyPIQVNHASITVEEQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.81
Rot. Bonds4

About N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (PubChem CID 108944328) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
PubChem CID108944328
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-17-8-10-19(11-9-17)16(21)12-15(20)18(2)13-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyPIQVNHASITVEEQ-UHFFFAOYSA-N
XLogP0.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-3-oxopropanamide
CID 108946045
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 28957486
3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017239
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
ethyl 2-[benzyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]acetate
CID 99788120
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439
3-amino-N-benzyl-3-imino-N-methylpropanamide
CID 99990430
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The IUPAC name of N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (CID 108944328) is N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is CN1CCN(C(=O)CC(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The InChIKey is PIQVNHASITVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-8-10-19(11-9-17)16(21)12-15(20)18(2)13-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide has a molecular weight of 289.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).