N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C23H28F3N3O — CID 86897509

IUPACN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCN1CCN(CCc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H28F3N3O/c1-28-14-16-29(17-15-28)13-12-19-4-9-21(10-5-19)27-22(30)11-6-18-2-7-20(8-3-18)23(24,25)26/h2-5,7-10H,6,11-17H2,1H3,(H,27,30)
InChIKeyQCAJXTLYEMGCTN-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.07
Rot. Bonds7

About N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 86897509) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID86897509
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCN1CCN(CCc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H28F3N3O/c1-28-14-16-29(17-15-28)13-12-19-4-9-21(10-5-19)27-22(30)11-6-18-2-7-20(8-3-18)23(24,25)26/h2-5,7-10H,6,11-17H2,1H3,(H,27,30)
InChIKeyQCAJXTLYEMGCTN-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86876134
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 86897509) is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide is CN1CCN(CCc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QCAJXTLYEMGCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c1-28-14-16-29(17-15-28)13-12-19-4-9-21(10-5-19)27-22(30)11-6-18-2-7-20(8-3-18)23(24,25)26/h2-5,7-10H,6,11-17H2,1H3,(H,27,30).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 419.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 86897509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).