(5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate

C16H18ClF2N3O3 — CID 171524092

IUPAC(5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC1CCC(=O)N1[C@H]1CN(C(=O)Oc2ccc(Cl)cn2)CC(F)(F)C1
InChIInChI=1S/C16H18ClF2N3O3/c1-10-2-5-14(23)22(10)12-6-16(18,19)9-21(8-12)15(24)25-13-4-3-11(17)7-20-13/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t10?,12-/m1/s1
InChIKeyXQPNOAGKQYQJTD-TVKKRMFBSA-N
MW373.79 g/mol
LogP2.95
Rot. Bonds2

About (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate

(5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 171524092) has the molecular formula C16H18ClF2N3O3 and a molecular weight of 373.79 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID171524092
Molecular FormulaC16H18ClF2N3O3
Molecular Weight373.79 g/mol
Exact Mass373.10
IUPAC Name(5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC1CCC(=O)N1[C@H]1CN(C(=O)Oc2ccc(Cl)cn2)CC(F)(F)C1
InChIInChI=1S/C16H18ClF2N3O3/c1-10-2-5-14(23)22(10)12-6-16(18,19)9-21(8-12)15(24)25-13-4-3-11(17)7-20-13/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t10?,12-/m1/s1
InChIKeyXQPNOAGKQYQJTD-TVKKRMFBSA-N
XLogP2.95
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523910
[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523813
(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
(5-chloro-2-pyridinyl) 2-[3,3-difluoro-5-(2-oxopiperidin-1-ium-1-yl)cycloheptyl]propanoate
CID 171524146
tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523993
1-[4-[4-(4-chlorophenyl)-3-[(5-chloro-2-pyridinyl)oxymethyl]-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 66655856
N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 71995121
[5-(4,4-dimethyl-2-oxopiperidin-1-yl)-2-pyridinyl] 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11711329
cis-(1S,2S)-N-[8-chloro-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135342651
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 91070786

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 171524092) is (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate is CC1CCC(=O)N1[C@H]1CN(C(=O)Oc2ccc(Cl)cn2)CC(F)(F)C1.
What is the InChIKey of (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is XQPNOAGKQYQJTD-TVKKRMFBSA-N. The full InChI is InChI=1S/C16H18ClF2N3O3/c1-10-2-5-14(23)22(10)12-6-16(18,19)9-21(8-12)15(24)25-13-4-3-11(17)7-20-13/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t10?,12-/m1/s1.
What are the key properties of (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
(5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 373.79 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171524092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).