2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone

C14H18F2N2O2 — CID 43217862

IUPAC2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(OC(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-4-11(5-7-12)17-10-13(19)18-8-2-1-3-9-18/h4-7,14,17H,1-3,8-10H2
InChIKeyHWBGOASWRLSZKK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone

2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone (PubChem CID 43217862) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
PubChem CID43217862
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(OC(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-4-11(5-7-12)17-10-13(19)18-8-2-1-3-9-18/h4-7,14,17H,1-3,8-10H2
InChIKeyHWBGOASWRLSZKK-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 43217887
2-[4-(difluoromethoxy)anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 47015468
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 47010791
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone (CID 43217862) is 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone is O=C(CNc1ccc(OC(F)F)cc1)N1CCCCC1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone?
The InChIKey is HWBGOASWRLSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-4-11(5-7-12)17-10-13(19)18-8-2-1-3-9-18/h4-7,14,17H,1-3,8-10H2.
What are the key properties of 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone?
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone has a molecular weight of 284.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 43217862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).