N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide

C19H21F2N5O — CID 129241391

IUPACN-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@H]1CN(c2ccc(C#N)c3ncccc23)CC(F)(F)C1
InChIInChI=1S/C19H21F2N5O/c1-25(2)11-17(27)24-14-8-19(20,21)12-26(10-14)16-6-5-13(9-22)18-15(16)4-3-7-23-18/h3-7,14H,8,10-12H2,1-2H3,(H,24,27)/t14-/m1/s1
InChIKeyRZCJOGPBYNEISX-CQSZACIVSA-N
MW373.41 g/mol
LogP2.00
Rot. Bonds4

About N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide

N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide (PubChem CID 129241391) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
PubChem CID129241391
Molecular FormulaC19H21F2N5O
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC NameN-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@H]1CN(c2ccc(C#N)c3ncccc23)CC(F)(F)C1
InChIInChI=1S/C19H21F2N5O/c1-25(2)11-17(27)24-14-8-19(20,21)12-26(10-14)16-6-5-13(9-22)18-15(16)4-3-7-23-18/h3-7,14H,8,10-12H2,1-2H3,(H,24,27)/t14-/m1/s1
InChIKeyRZCJOGPBYNEISX-CQSZACIVSA-N
XLogP2.00
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide (CID 129241391) is N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide is CN(C)CC(=O)N[C@H]1CN(c2ccc(C#N)c3ncccc23)CC(F)(F)C1.
What is the InChIKey of N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide?
The InChIKey is RZCJOGPBYNEISX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21F2N5O/c1-25(2)11-17(27)24-14-8-19(20,21)12-26(10-14)16-6-5-13(9-22)18-15(16)4-3-7-23-18/h3-7,14H,8,10-12H2,1-2H3,(H,24,27)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide?
N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 129241391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).