(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride

C19H20ClF2N3O3 — CID 119703716

IUPAC(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1
InChIInChI=1S/C19H19F2N3O3.ClH/c20-19(21)27-16-4-2-1-3-15(16)18(26)24-11-9-23(10-12-24)17(25)13-5-7-14(22)8-6-13;/h1-8,19H,9-12,22H2;1H
InChIKeyLVPDWOFFDGWBKY-UHFFFAOYSA-N
MW411.84 g/mol
LogP2.89
Rot. Bonds4

About (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride

(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 119703716) has the molecular formula C19H20ClF2N3O3 and a molecular weight of 411.84 g/mol. Its IUPAC name is (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID119703716
Molecular FormulaC19H20ClF2N3O3
Molecular Weight411.84 g/mol
Exact Mass411.12
IUPAC Name(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1
InChIInChI=1S/C19H19F2N3O3.ClH/c20-19(21)27-16-4-2-1-3-15(16)18(26)24-11-9-23(10-12-24)17(25)13-5-7-14(22)8-6-13;/h1-8,19H,9-12,22H2;1H
InChIKeyLVPDWOFFDGWBKY-UHFFFAOYSA-N
XLogP2.89
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 46434761
1-[4-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 26239975
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703712
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278777
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride (CID 119703716) is (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride is Cl.Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is LVPDWOFFDGWBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3.ClH/c20-19(21)27-16-4-2-1-3-15(16)18(26)24-11-9-23(10-12-24)17(25)13-5-7-14(22)8-6-13;/h1-8,19H,9-12,22H2;1H.
What are the key properties of (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 411.84 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119703716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).