(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

C17H19ClF2N2O3 — CID 171523792

IUPAC(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1CC(N2CCCCC2=O)CC(F)(F)C1
InChIInChI=1S/C17H19ClF2N2O3/c18-12-4-6-14(7-5-12)25-16(24)21-10-13(9-17(19,20)11-21)22-8-2-1-3-15(22)23/h4-7,13H,1-3,8-11H2
InChIKeyOWEDSTWHUOPTAZ-UHFFFAOYSA-N
MW372.80 g/mol
LogP3.56
Rot. Bonds2

About (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523792) has the molecular formula C17H19ClF2N2O3 and a molecular weight of 372.80 g/mol. Its IUPAC name is (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID171523792
Molecular FormulaC17H19ClF2N2O3
Molecular Weight372.80 g/mol
Exact Mass372.11
IUPAC Name(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1CC(N2CCCCC2=O)CC(F)(F)C1
InChIInChI=1S/C17H19ClF2N2O3/c18-12-4-6-14(7-5-12)25-16(24)21-10-13(9-17(19,20)11-21)22-8-2-1-3-15(22)23/h4-7,13H,1-3,8-11H2
InChIKeyOWEDSTWHUOPTAZ-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (CID 171523792) is (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is O=C(Oc1ccc(Cl)cc1)N1CC(N2CCCCC2=O)CC(F)(F)C1.
What is the InChIKey of (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is OWEDSTWHUOPTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N2O3/c18-12-4-6-14(7-5-12)25-16(24)21-10-13(9-17(19,20)11-21)22-8-2-1-3-15(22)23/h4-7,13H,1-3,8-11H2.
What are the key properties of (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 372.80 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).