(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one

C19H24FNO4 — CID 92582908

IUPAC(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)C[C@@H]1C(=O)N1CCC[C@@H](COc2ccccc2F)C1
InChIInChI=1S/C19H24FNO4/c1-19(2)14(10-17(22)25-19)18(23)21-9-5-6-13(11-21)12-24-16-8-4-3-7-15(16)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyUWZXTRVLJZIUPV-ZIAGYGMSSA-N
MW349.40 g/mol
LogP2.78
Rot. Bonds4

About (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one

(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one (PubChem CID 92582908) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one
PubChem CID92582908
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)C[C@@H]1C(=O)N1CCC[C@@H](COc2ccccc2F)C1
InChIInChI=1S/C19H24FNO4/c1-19(2)14(10-17(22)25-19)18(23)21-9-5-6-13(11-21)12-24-16-8-4-3-7-15(16)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyUWZXTRVLJZIUPV-ZIAGYGMSSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one with MolForge

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Related Compounds

2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 92582884
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95885714
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247
3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 46969823
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963
2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one
CID 46972542

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one?
The IUPAC name of (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one (CID 92582908) is (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one.
What is the SMILES notation for (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one?
The canonical SMILES for (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one is CC1(C)OC(=O)C[C@@H]1C(=O)N1CCC[C@@H](COc2ccccc2F)C1.
What is the InChIKey of (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one?
The InChIKey is UWZXTRVLJZIUPV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-19(2)14(10-17(22)25-19)18(23)21-9-5-6-13(11-21)12-24-16-8-4-3-7-15(16)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one?
(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one has a molecular weight of 349.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 92582908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).