2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one

C16H20F3N3O3 — CID 120986261

IUPAC2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3N3O3/c1-25-10-13(20)15(24)22-7-5-21(6-8-22)14(23)11-3-2-4-12(9-11)16(17,18)19/h2-4,9,13H,5-8,10,20H2,1H3
InChIKeyHZEIWCWGXMDGCA-UHFFFAOYSA-N
MW359.35 g/mol
LogP0.96
Rot. Bonds4

About 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one

2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one (PubChem CID 120986261) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
PubChem CID120986261
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3N3O3/c1-25-10-13(20)15(24)22-7-5-21(6-8-22)14(23)11-3-2-4-12(9-11)16(17,18)19/h2-4,9,13H,5-8,10,20H2,1H3
InChIKeyHZEIWCWGXMDGCA-UHFFFAOYSA-N
XLogP0.96
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988456
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
4-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 120588663
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
(2S)-2-amino-4-methyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pentan-1-one
CID 119729298
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 86993491
[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 68838032

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one (CID 120986261) is 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one is COCC(N)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
The InChIKey is HZEIWCWGXMDGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-25-10-13(20)15(24)22-7-5-21(6-8-22)14(23)11-3-2-4-12(9-11)16(17,18)19/h2-4,9,13H,5-8,10,20H2,1H3.
What are the key properties of 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one?
2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one has a molecular weight of 359.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120986261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).