N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

C16H24N4O2 — CID 108944450

IUPACN-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H24N4O2/c1-18(2)14-6-4-13(5-7-14)17-15(21)12-16(22)20-10-8-19(3)9-11-20/h4-7H,8-12H2,1-3H3,(H,17,21)
InChIKeyKGEJTFRQUYFJKS-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.86
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (PubChem CID 108944450) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
PubChem CID108944450
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H24N4O2/c1-18(2)14-6-4-13(5-7-14)17-15(21)12-16(22)20-10-8-19(3)9-11-20/h4-7H,8-12H2,1-3H3,(H,17,21)
InChIKeyKGEJTFRQUYFJKS-UHFFFAOYSA-N
XLogP0.86
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-3-oxopropanamide
CID 108952723
N-[4-(dimethylamino)phenyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108951025
N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 2095190
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108944941
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
CID 108996192
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944390

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (CID 108944450) is N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is CN1CCN(C(=O)CC(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The InChIKey is KGEJTFRQUYFJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18(2)14-6-4-13(5-7-14)17-15(21)12-16(22)20-10-8-19(3)9-11-20/h4-7H,8-12H2,1-3H3,(H,17,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide has a molecular weight of 304.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).