2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone

C14H19F2N3O2 — CID 43217887

IUPAC2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C14H19F2N3O2/c1-18-6-8-19(9-7-18)13(20)10-17-11-2-4-12(5-3-11)21-14(15)16/h2-5,14,17H,6-10H2,1H3
InChIKeySKCFTLKOGMZKEI-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 43217887) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID43217887
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C14H19F2N3O2/c1-18-6-8-19(9-7-18)13(20)10-17-11-2-4-12(5-3-11)21-14(15)16/h2-5,14,17H,6-10H2,1H3
InChIKeySKCFTLKOGMZKEI-UHFFFAOYSA-N
XLogP1.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
2-[4-(difluoromethoxy)anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 47015468
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 108995454
2-(4-fluoro-3-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 55117982
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61470206
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 34067089
2-(4-chloro-3-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107621589
2-(3-chloro-4-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28570686

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone (CID 43217887) is 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SKCFTLKOGMZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-18-6-8-19(9-7-18)13(20)10-17-11-2-4-12(5-3-11)21-14(15)16/h2-5,14,17H,6-10H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 299.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43217887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).