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

C20H30F3N3O — CID 55788373

IUPACN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C20H30F3N3O/c1-3-4-5-6-7-8-19(27)24-18-10-9-16(15-17(18)20(21,22)23)26-13-11-25(2)12-14-26/h9-10,15H,3-8,11-14H2,1-2H3,(H,24,27)
InChIKeyJEJNVIZIQDQIAK-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.76
Rot. Bonds8

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

N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide (PubChem CID 55788373) has the molecular formula C20H30F3N3O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
PubChem CID55788373
Molecular FormulaC20H30F3N3O
Molecular Weight385.47 g/mol
Exact Mass385.23
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C20H30F3N3O/c1-3-4-5-6-7-8-19(27)24-18-10-9-16(15-17(18)20(21,22)23)26-13-11-25(2)12-14-26/h9-10,15H,3-8,11-14H2,1-2H3,(H,24,27)
InChIKeyJEJNVIZIQDQIAK-UHFFFAOYSA-N
XLogP4.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.76
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

N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788182
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788086
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 109017439
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 78887562
2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788431
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55787869
2-chloro-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-5-methylsulfanylbenzamide
CID 55787776
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55788180
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944475

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide (CID 55788373) is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide?
The InChIKey is JEJNVIZIQDQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O/c1-3-4-5-6-7-8-19(27)24-18-10-9-16(15-17(18)20(21,22)23)26-13-11-25(2)12-14-26/h9-10,15H,3-8,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide?
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide has a molecular weight of 385.47 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide is sourced from PubChem (CID 55788373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).