4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide

C17H20F3N3O4 — CID 8777313

IUPAC4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H20F3N3O4/c1-12(24)22-8-10-23(11-9-22)16(26)7-6-15(25)21-13-2-4-14(5-3-13)27-17(18,19)20/h2-5H,6-11H2,1H3,(H,21,25)
InChIKeyNYVYUGYYWUJVHX-UHFFFAOYSA-N
MW387.36 g/mol
LogP1.99
Rot. Bonds5

About 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide

4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 8777313) has the molecular formula C17H20F3N3O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID8777313
Molecular FormulaC17H20F3N3O4
Molecular Weight387.36 g/mol
Exact Mass387.14
IUPAC Name4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H20F3N3O4/c1-12(24)22-8-10-23(11-9-22)16(26)7-6-15(25)21-13-2-4-14(5-3-13)27-17(18,19)20/h2-5H,6-11H2,1H3,(H,21,25)
InChIKeyNYVYUGYYWUJVHX-UHFFFAOYSA-N
XLogP1.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119833580
[2-(azocan-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642357
4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
CID 7602926
3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944957
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41445196
2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020903
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 8777313) is 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide is CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is NYVYUGYYWUJVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4/c1-12(24)22-8-10-23(11-9-22)16(26)7-6-15(25)21-13-2-4-14(5-3-13)27-17(18,19)20/h2-5H,6-11H2,1H3,(H,21,25).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide?
4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 387.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 8777313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).