4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one

C16H21F2N3O3 — CID 119278804

IUPAC4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H21F2N3O3/c17-16(18)24-13-5-2-1-4-12(13)15(23)21-10-8-20(9-11-21)14(22)6-3-7-19/h1-2,4-5,16H,3,6-11,19H2
InChIKeyPCSKLRNYOMAKBC-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.31
Rot. Bonds6

About 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one

4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one (PubChem CID 119278804) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
PubChem CID119278804
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H21F2N3O3/c17-16(18)24-13-5-2-1-4-12(13)15(23)21-10-8-20(9-11-21)14(22)6-3-7-19/h1-2,4-5,16H,3,6-11,19H2
InChIKeyPCSKLRNYOMAKBC-UHFFFAOYSA-N
XLogP1.31
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
CID 55548555
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55547857
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 46443133
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
3-(1,3-benzodioxol-5-yl)-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 46462047
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 55547976
4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one (CID 119278804) is 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one?
The InChIKey is PCSKLRNYOMAKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c17-16(18)24-13-5-2-1-4-12(13)15(23)21-10-8-20(9-11-21)14(22)6-3-7-19/h1-2,4-5,16H,3,6-11,19H2.
What are the key properties of 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one?
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one has a molecular weight of 341.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119278804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).