N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide

C17H28N4O — CID 2095190

IUPACN-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
SMILESCN1CCC(N(C)CC(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H28N4O/c1-19(2)15-7-5-14(6-8-15)18-17(22)13-21(4)16-9-11-20(3)12-10-16/h5-8,16H,9-13H2,1-4H3,(H,18,22)
InChIKeyXVLGARFMSNAHBM-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.72
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide

N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide (PubChem CID 2095190) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
PubChem CID2095190
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
SMILESCN1CCC(N(C)CC(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H28N4O/c1-19(2)15-7-5-14(6-8-15)18-17(22)13-21(4)16-9-11-20(3)12-10-16/h5-8,16H,9-13H2,1-4H3,(H,18,22)
InChIKeyXVLGARFMSNAHBM-UHFFFAOYSA-N
XLogP1.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159358
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944450
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide
CID 47091049
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide (CID 2095190) is N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide is CN1CCC(N(C)CC(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The InChIKey is XVLGARFMSNAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-19(2)15-7-5-14(6-8-15)18-17(22)13-21(4)16-9-11-20(3)12-10-16/h5-8,16H,9-13H2,1-4H3,(H,18,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide is sourced from PubChem (CID 2095190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).