4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one

C19H26F3N3O2 — CID 56552591

IUPAC4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-14(2)6-7-17(26)24-8-10-25(11-9-24)18(27)13-23-16-5-3-4-15(12-16)19(20,21)22/h3-5,12,14,23H,6-11,13H2,1-2H3
InChIKeyKLIZQHSQQDCNQY-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.22
Rot. Bonds6

About 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one

4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one (PubChem CID 56552591) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
PubChem CID56552591
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-14(2)6-7-17(26)24-8-10-25(11-9-24)18(27)13-23-16-5-3-4-15(12-16)19(20,21)22/h3-5,12,14,23H,6-11,13H2,1-2H3
InChIKeyKLIZQHSQQDCNQY-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]butan-1-one
CID 56551539
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56552655
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552560
1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552757
N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56551379
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140227
N-(2-methyl-2-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546273

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one (CID 56552591) is 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one?
The InChIKey is KLIZQHSQQDCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-14(2)6-7-17(26)24-8-10-25(11-9-24)18(27)13-23-16-5-3-4-15(12-16)19(20,21)22/h3-5,12,14,23H,6-11,13H2,1-2H3.
What are the key properties of 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one?
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one has a molecular weight of 385.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 56552591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).