N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide

C17H23N3O3 — CID 113161375

IUPACN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)Cc1ccccc1C
InChIInChI=1S/C17H23N3O3/c1-14-5-3-4-6-16(14)11-20(15(2)22)12-17(23)19-9-7-18(13-21)8-10-19/h3-6,13H,7-12H2,1-2H3
InChIKeyLVNTVLSPFXCEAM-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.64
Rot. Bonds5

About N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 113161375) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID113161375
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)Cc1ccccc1C
InChIInChI=1S/C17H23N3O3/c1-14-5-3-4-6-16(14)11-20(15(2)22)12-17(23)19-9-7-18(13-21)8-10-19/h3-6,13H,7-12H2,1-2H3
InChIKeyLVNTVLSPFXCEAM-UHFFFAOYSA-N
XLogP0.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113161360
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161416
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113162197
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
N-(4-bromo-3-methylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178156
2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
N-(2,6-difluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113181393
N-[4-(dimethylamino)phenyl]-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113176665
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
CID 113161359
N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171494
4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094017

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide (CID 113161375) is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide is CC(=O)N(CC(=O)N1CCN(C=O)CC1)Cc1ccccc1C.
What is the InChIKey of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is LVNTVLSPFXCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-14-5-3-4-6-16(14)11-20(15(2)22)12-17(23)19-9-7-18(13-21)8-10-19/h3-6,13H,7-12H2,1-2H3.
What are the key properties of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide?
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113161375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).