benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

C18H23FN2O3 — CID 67972328

IUPACbenzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)C(N2CCCCC2=O)C1
InChIInChI=1S/C18H23FN2O3/c19-15-9-11-20(12-16(15)21-10-5-4-8-17(21)22)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyAUZFDGOOSVUETB-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.75
Rot. Bonds3

About benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 67972328) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID67972328
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Namebenzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)C(N2CCCCC2=O)C1
InChIInChI=1S/C18H23FN2O3/c19-15-9-11-20(12-16(15)21-10-5-4-8-17(21)22)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyAUZFDGOOSVUETB-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
benzyl 3-fluoro-4-iodopiperidine-1-carboxylate
CID 166077335
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl 4-fluoro-5-oxoazocane-1-carboxylate
CID 122547365
benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
CID 124547561
1-phenylmethoxycarbonylpyrrolidine-3-carboxylate
CID 74447193
benzyl (3S)-3-carbonochloridoylpyrrolidine-1-carboxylate
CID 125117165

Frequently Asked Questions

What is the IUPAC name of benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (CID 67972328) is benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(F)C(N2CCCCC2=O)C1.
What is the InChIKey of benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is AUZFDGOOSVUETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-15-9-11-20(12-16(15)21-10-5-4-8-17(21)22)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 334.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67972328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).