2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

C15H19F2N3O3 — CID 120988690

IUPAC2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H19F2N3O3/c1-23-9-13(18)15(22)20-6-4-19(5-7-20)14(21)11-3-2-10(16)8-12(11)17/h2-3,8,13H,4-7,9,18H2,1H3
InChIKeySWNQOAPYDQXLMO-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.22
Rot. Bonds4

About 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 120988690) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID120988690
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H19F2N3O3/c1-23-9-13(18)15(22)20-6-4-19(5-7-20)14(21)11-3-2-10(16)8-12(11)17/h2-3,8,13H,4-7,9,18H2,1H3
InChIKeySWNQOAPYDQXLMO-UHFFFAOYSA-N
XLogP0.22
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316335
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119771193
2-amino-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120986431
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771177
2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316419
2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120983562
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119307835
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988456

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 120988690) is 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is COCC(N)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is SWNQOAPYDQXLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3/c1-23-9-13(18)15(22)20-6-4-19(5-7-20)14(21)11-3-2-10(16)8-12(11)17/h2-3,8,13H,4-7,9,18H2,1H3.
What are the key properties of 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 327.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 120988690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).