[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone

C17H23F2NO3 — CID 70741469

IUPAC[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H23F2NO3/c1-22-12-6-8-13-7-4-5-11-20(13)16(21)14-9-2-3-10-15(14)23-17(18)19/h2-3,9-10,13,17H,4-8,11-12H2,1H3
InChIKeyFIVXIZXIZUMMHB-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.71
Rot. Bonds7

About [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 70741469) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID70741469
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H23F2NO3/c1-22-12-6-8-13-7-4-5-11-20(13)16(21)14-9-2-3-10-15(14)23-17(18)19/h2-3,9-10,13,17H,4-8,11-12H2,1H3
InChIKeyFIVXIZXIZUMMHB-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 71811402
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
N-(3-cyclopentylpropyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 78883609
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70756992
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790
[2-(difluoromethoxy)phenyl]-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 55675936
[2-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327333
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 72886711

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 70741469) is [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCCC1CCCCN1C(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is FIVXIZXIZUMMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-22-12-6-8-13-7-4-5-11-20(13)16(21)14-9-2-3-10-15(14)23-17(18)19/h2-3,9-10,13,17H,4-8,11-12H2,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 327.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70741469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).