N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide

C15H20F3N3O — CID 698325

IUPACN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H20F3N3O/c1-3-14(22)19-12-10-11(15(16,17)18)4-5-13(12)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyBWPWEGBBHGTHAI-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.81
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide

N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 698325) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID698325
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H20F3N3O/c1-3-14(22)19-12-10-11(15(16,17)18)4-5-13(12)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyBWPWEGBBHGTHAI-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 3472528
[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiourea
CID 169357396
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534808
3,4-difluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 37441848
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 1194264
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 5299498
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 3369616
1-chloro-3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]propan-2-ol
CID 168638004
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide (CID 698325) is N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BWPWEGBBHGTHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-3-14(22)19-12-10-11(15(16,17)18)4-5-13(12)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 315.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 698325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).