3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide

C24H30F3N3O — CID 71942240

IUPAC3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
SMILESCc1cccc(CCC(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H30F3N3O/c1-19-5-2-6-20(17-19)9-10-23(31)28-11-4-12-29-13-15-30(16-14-29)22-8-3-7-21(18-22)24(25,26)27/h2-3,5-8,17-18H,4,9-16H2,1H3,(H,28,31)
InChIKeyUKPDGJRIMFWSHE-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.27
Rot. Bonds8

About 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide

3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide (PubChem CID 71942240) has the molecular formula C24H30F3N3O and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
PubChem CID71942240
Molecular FormulaC24H30F3N3O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
SMILESCc1cccc(CCC(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H30F3N3O/c1-19-5-2-6-20(17-19)9-10-23(31)28-11-4-12-29-13-15-30(16-14-29)22-8-3-7-21(18-22)24(25,26)27/h2-3,5-8,17-18H,4,9-16H2,1H3,(H,28,31)
InChIKeyUKPDGJRIMFWSHE-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
tert-butyl N-[4-oxo-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]butyl]carbamate
CID 55683557
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
CID 38440769
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
2-[(2-methylpropan-2-yl)oxy]-N-[3-[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclohexyl]propyl]acetamide
CID 162564531
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319
2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
CID 110930670
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide
CID 60502123

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide (CID 71942240) is 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide is Cc1cccc(CCC(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide?
The InChIKey is UKPDGJRIMFWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O/c1-19-5-2-6-20(17-19)9-10-23(31)28-11-4-12-29-13-15-30(16-14-29)22-8-3-7-21(18-22)24(25,26)27/h2-3,5-8,17-18H,4,9-16H2,1H3,(H,28,31).
What are the key properties of 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide?
3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide has a molecular weight of 433.52 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 71942240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).