N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide

C24H31F3N4O — CID 31051670

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H31F3N4O/c1-28(2)22-10-6-19(7-11-22)16-29(3)23(32)18-31-14-12-30(13-15-31)17-20-4-8-21(9-5-20)24(25,26)27/h4-11H,12-18H2,1-3H3
InChIKeyIYTYRMIYZIODMT-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.55
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide (PubChem CID 31051670) has the molecular formula C24H31F3N4O and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
PubChem CID31051670
Molecular FormulaC24H31F3N4O
Molecular Weight448.53 g/mol
Exact Mass448.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H31F3N4O/c1-28(2)22-10-6-19(7-11-22)16-29(3)23(32)18-31-14-12-30(13-15-31)17-20-4-8-21(9-5-20)24(25,26)27/h4-11H,12-18H2,1-3H3
InChIKeyIYTYRMIYZIODMT-UHFFFAOYSA-N
XLogP3.55
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]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

N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 78895971
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134049483
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
(E)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 35596876
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 87016290
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8531374
N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide
CID 166062503

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide (CID 31051670) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide is CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is IYTYRMIYZIODMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O/c1-28(2)22-10-6-19(7-11-22)16-29(3)23(32)18-31-14-12-30(13-15-31)17-20-4-8-21(9-5-20)24(25,26)27/h4-11H,12-18H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31051670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).