(5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

C15H17ClF2N4O3 — CID 171523979

IUPAC(5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ncc(Cl)cn1)N1C[C@H](N2CCCCC2=O)CC(F)(F)C1
InChIInChI=1S/C15H17ClF2N4O3/c16-10-6-19-13(20-7-10)25-14(24)21-8-11(5-15(17,18)9-21)22-4-2-1-3-12(22)23/h6-7,11H,1-5,8-9H2/t11-/m1/s1
InChIKeyOMLOCPHYACGFQJ-LLVKDONJSA-N
MW374.78 g/mol
LogP2.35
Rot. Bonds2

About (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

(5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523979) has the molecular formula C15H17ClF2N4O3 and a molecular weight of 374.78 g/mol. Its IUPAC name is (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID171523979
Molecular FormulaC15H17ClF2N4O3
Molecular Weight374.78 g/mol
Exact Mass374.10
IUPAC Name(5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ncc(Cl)cn1)N1C[C@H](N2CCCCC2=O)CC(F)(F)C1
InChIInChI=1S/C15H17ClF2N4O3/c16-10-6-19-13(20-7-10)25-14(24)21-8-11(5-15(17,18)9-21)22-4-2-1-3-12(22)23/h6-7,11H,1-5,8-9H2/t11-/m1/s1
InChIKeyOMLOCPHYACGFQJ-LLVKDONJSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (CID 171523979) is (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is O=C(Oc1ncc(Cl)cn1)N1C[C@H](N2CCCCC2=O)CC(F)(F)C1.
What is the InChIKey of (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is OMLOCPHYACGFQJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClF2N4O3/c16-10-6-19-13(20-7-10)25-14(24)21-8-11(5-15(17,18)9-21)22-4-2-1-3-12(22)23/h6-7,11H,1-5,8-9H2/t11-/m1/s1.
What are the key properties of (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
(5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 374.78 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).