benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate

C23H31FN2O5 — CID 121438709

IUPACbenzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)C1N(C(=O)[C@@H](F)C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)OC1(C)C
InChIInChI=1S/C23H31FN2O5/c1-15(2)19-23(3,4)31-22(29)26(19)20(27)18(24)17-10-12-25(13-11-17)21(28)30-14-16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3/t18-,19?/m0/s1
InChIKeyFZOJGWVAQKNIMI-OYKVQYDMSA-N
MW434.51 g/mol
LogP4.16
Rot. Bonds5

About benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate

benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 121438709) has the molecular formula C23H31FN2O5 and a molecular weight of 434.51 g/mol. Its IUPAC name is benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
PubChem CID121438709
Molecular FormulaC23H31FN2O5
Molecular Weight434.51 g/mol
Exact Mass434.22
IUPAC Namebenzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)C1N(C(=O)[C@@H](F)C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)OC1(C)C
InChIInChI=1S/C23H31FN2O5/c1-15(2)19-23(3,4)31-22(29)26(19)20(27)18(24)17-10-12-25(13-11-17)21(28)30-14-16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3/t18-,19?/m0/s1
InChIKeyFZOJGWVAQKNIMI-OYKVQYDMSA-N
XLogP4.16
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 3-(2,2-difluoro-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 167720294
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
CID 70855943
1-O-benzyl 4-O-propan-2-yl 3-oxopiperidine-1,4-dicarboxylate
CID 133056046
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(difluoromethoxy)piperidine-1-carboxylate
CID 67527865
(4S)-3-[(2R)-2-benzyl-3-(dibenzylamino)propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23583463
1-O-benzyl 4-O-propan-2-yl 3-oxopiperidine-1,4-dicarboxylate;hydrochloride
CID 133056045

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate (CID 121438709) is benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate is CC(C)C1N(C(=O)[C@@H](F)C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)OC1(C)C.
What is the InChIKey of benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is FZOJGWVAQKNIMI-OYKVQYDMSA-N. The full InChI is InChI=1S/C23H31FN2O5/c1-15(2)19-23(3,4)31-22(29)26(19)20(27)18(24)17-10-12-25(13-11-17)21(28)30-14-16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3/t18-,19?/m0/s1.
What are the key properties of benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate?
benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 434.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 121438709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).