1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone

C18H23FN2O4 — CID 97187034

IUPAC1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CC(Oc3ccccc3F)C2)C1
InChIInChI=1S/C18H23FN2O4/c1-24-12-17(22)20-8-4-5-13(9-20)18(23)21-10-14(11-21)25-16-7-3-2-6-15(16)19/h2-3,6-7,13-14H,4-5,8-12H2,1H3/t13-/m0/s1
InChIKeyHTPZZSOBRXDISM-ZDUSSCGKSA-N
MW350.39 g/mol
LogP1.30
Rot. Bonds5

About 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone

1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 97187034) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID97187034
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CC(Oc3ccccc3F)C2)C1
InChIInChI=1S/C18H23FN2O4/c1-24-12-17(22)20-8-4-5-13(9-20)18(23)21-10-14(11-21)25-16-7-3-2-6-15(16)19/h2-3,6-7,13-14H,4-5,8-12H2,1H3/t13-/m0/s1
InChIKeyHTPZZSOBRXDISM-ZDUSSCGKSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97284449
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
CID 97193702
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 110249542
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97156288

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone (CID 97187034) is 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H](C(=O)N2CC(Oc3ccccc3F)C2)C1.
What is the InChIKey of 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is HTPZZSOBRXDISM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-24-12-17(22)20-8-4-5-13(9-20)18(23)21-10-14(11-21)25-16-7-3-2-6-15(16)19/h2-3,6-7,13-14H,4-5,8-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 350.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 97187034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).