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

C38H42F4N10O2 — CID 129251002

IUPACN-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-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.CN(C)CC(=O)N[C@H]1CN(c2ccc(C#N)c3ncccc23)CC(F)(F)C1
InChIInChI=1S/2C19H21F2N5O/c2*1-25(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/h2*3-7,14H,8,10-12H2,1-2H3,(H,24,27)/t2*14-/m10/s1
InChIKeyLPQYDIZNVODOSR-IKFJUQJOSA-N
MW746.81 g/mol
LogP4.00
Rot. Bonds8

About N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-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;N-[(3S)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide (PubChem CID 129251002) has the molecular formula C38H42F4N10O2 and a molecular weight of 746.81 g/mol. Its IUPAC name is N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-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;N-[(3S)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
PubChem CID129251002
Molecular FormulaC38H42F4N10O2
Molecular Weight746.81 g/mol
Exact Mass746.34
IUPAC NameN-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-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.CN(C)CC(=O)N[C@H]1CN(c2ccc(C#N)c3ncccc23)CC(F)(F)C1
InChIInChI=1S/2C19H21F2N5O/c2*1-25(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/h2*3-7,14H,8,10-12H2,1-2H3,(H,24,27)/t2*14-/m10/s1
InChIKeyLPQYDIZNVODOSR-IKFJUQJOSA-N
XLogP4.00
TPSA144.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500746.81
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide with MolForge

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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;N-[(3S)-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;N-[(3S)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide (CID 129251002) is N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-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;N-[(3S)-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;N-[(3S)-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.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;N-[(3S)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide?
The InChIKey is LPQYDIZNVODOSR-IKFJUQJOSA-N. The full InChI is InChI=1S/2C19H21F2N5O/c2*1-25(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/h2*3-7,14H,8,10-12H2,1-2H3,(H,24,27)/t2*14-/m10/s1.
What are the key properties of N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-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;N-[(3S)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide has a molecular weight of 746.81 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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;N-[(3S)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 129251002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).