[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

C16H21F2NO3 — CID 95179553

IUPAC[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C16H21F2NO3/c1-2-10-21-12-6-5-9-19(11-12)15(20)13-7-3-4-8-14(13)22-16(17)18/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyCEYOKSVFZMLVMZ-LBPRGKRZSA-N
MW313.34 g/mol
LogP3.32
Rot. Bonds6

About [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone (PubChem CID 95179553) has the molecular formula C16H21F2NO3 and a molecular weight of 313.34 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
PubChem CID95179553
Molecular FormulaC16H21F2NO3
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C16H21F2NO3/c1-2-10-21-12-6-5-9-19(11-12)15(20)13-7-3-4-8-14(13)22-16(17)18/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyCEYOKSVFZMLVMZ-LBPRGKRZSA-N
XLogP3.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78862780
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118
[2-(difluoromethoxy)phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51087839
3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 95588730
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone (CID 95179553) is [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone is CCCO[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is CEYOKSVFZMLVMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21F2NO3/c1-2-10-21-12-6-5-9-19(11-12)15(20)13-7-3-4-8-14(13)22-16(17)18/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3/t12-/m0/s1.
What are the key properties of [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone has a molecular weight of 313.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 95179553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).