tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

C14H22F2N2O3 — CID 171523993

IUPACtert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](N2CCCC2=O)CC(F)(F)C1
InChIInChI=1S/C14H22F2N2O3/c1-13(2,3)21-12(20)17-8-10(7-14(15,16)9-17)18-6-4-5-11(18)19/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyHTSHLKPDPNCUEY-SNVBAGLBSA-N
MW304.34 g/mol
LogP2.25
Rot. Bonds1

About tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523993) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID171523993
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Nametert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](N2CCCC2=O)CC(F)(F)C1
InChIInChI=1S/C14H22F2N2O3/c1-13(2,3)21-12(20)17-8-10(7-14(15,16)9-17)18-6-4-5-11(18)19/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyHTSHLKPDPNCUEY-SNVBAGLBSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523792
[6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523924
(4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523825
tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 154707076
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
tert-butyl 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 118114997
tert-butyl 5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 90224767
tert-butyl 5-(3-ethoxy-3-oxoprop-1-enyl)-3,3-difluoropiperidine-1-carboxylate
CID 138732008
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716
tert-butyl (3R)-3-(4-chloro-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168686809

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 171523993) is tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](N2CCCC2=O)CC(F)(F)C1.
What is the InChIKey of tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is HTSHLKPDPNCUEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c1-13(2,3)21-12(20)17-8-10(7-14(15,16)9-17)18-6-4-5-11(18)19/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 304.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).