2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C19H26F3N3O3 — CID 24664292

IUPAC2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCC(C)CC(=O)N1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C19H26F3N3O3/c1-14(2)11-18(27)25-9-7-24(8-10-25)13-17(26)23-12-15-5-3-4-6-16(15)28-19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,26)
InChIKeyAPTZQHAJPQSZHE-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.39
Rot. Bonds7

About 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 24664292) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID24664292
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCC(C)CC(=O)N1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C19H26F3N3O3/c1-14(2)11-18(27)25-9-7-24(8-10-25)13-17(26)23-12-15-5-3-4-6-16(15)28-19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,26)
InChIKeyAPTZQHAJPQSZHE-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30671216
2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid
CID 154911848
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55543337
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 35427329
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 24665074
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 24664292) is 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CC(C)CC(=O)N1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is APTZQHAJPQSZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-14(2)11-18(27)25-9-7-24(8-10-25)13-17(26)23-12-15-5-3-4-6-16(15)28-19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 401.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 24664292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).