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

C18H19F2N3O3 — CID 171523825

IUPAC(4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESN#Cc1ccc(OC(=O)N2C[C@H](N3CCCCC3=O)CC(F)(F)C2)cc1
InChIInChI=1S/C18H19F2N3O3/c19-18(20)9-14(23-8-2-1-3-16(23)24)11-22(12-18)17(25)26-15-6-4-13(10-21)5-7-15/h4-7,14H,1-3,8-9,11-12H2/t14-/m1/s1
InChIKeyYPILOCOCMFKGBX-CQSZACIVSA-N
MW363.36 g/mol
LogP2.78
Rot. Bonds2

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

(4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523825) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID171523825
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name(4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESN#Cc1ccc(OC(=O)N2C[C@H](N3CCCCC3=O)CC(F)(F)C2)cc1
InChIInChI=1S/C18H19F2N3O3/c19-18(20)9-14(23-8-2-1-3-16(23)24)11-22(12-18)17(25)26-15-6-4-13(10-21)5-7-15/h4-7,14H,1-3,8-9,11-12H2/t14-/m1/s1
InChIKeyYPILOCOCMFKGBX-CQSZACIVSA-N
XLogP2.78
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523792
tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523993
[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523963
(4-cyanophenyl) 3-formylpyrrolidine-1-carboxylate
CID 170160857
1-azabicyclo[2.2.2]octan-3-yl (4-cyanophenyl) carbonate
CID 67133395
4-(2-oxopiperidine-1-carbonyl)benzonitrile
CID 141391149
2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile
CID 14896398
4-[4-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]phenoxy]benzonitrile
CID 24794508
tert-butyl (8aR)-2-[4-(4-cyanophenoxy)phenyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 137385371
1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one
CID 120954972
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
(8aR)-2-[4-(4-cyanophenoxy)phenyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 175045441

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (CID 171523825) is (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is N#Cc1ccc(OC(=O)N2C[C@H](N3CCCCC3=O)CC(F)(F)C2)cc1.
What is the InChIKey of (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is YPILOCOCMFKGBX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c19-18(20)9-14(23-8-2-1-3-16(23)24)11-22(12-18)17(25)26-15-6-4-13(10-21)5-7-15/h4-7,14H,1-3,8-9,11-12H2/t14-/m1/s1.
What are the key properties of (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
(4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 363.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).