N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide

C20H22F3N5O — CID 129240626

IUPACN-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CC(C(F)(F)F)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C20H22F3N5O/c1-27(2)12-18(29)26-15-8-14(20(21,22)23)10-28(11-15)17-6-5-13(9-24)19-16(17)4-3-7-25-19/h3-7,14-15H,8,10-12H2,1-2H3,(H,26,29)
InChIKeyABMRUJVAHKHPBG-UHFFFAOYSA-N
MW405.42 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide

N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide (PubChem CID 129240626) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide
PubChem CID129240626
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC NameN-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CC(C(F)(F)F)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C20H22F3N5O/c1-27(2)12-18(29)26-15-8-14(20(21,22)23)10-28(11-15)17-6-5-13(9-24)19-16(17)4-3-7-25-19/h3-7,14-15H,8,10-12H2,1-2H3,(H,26,29)
InChIKeyABMRUJVAHKHPBG-UHFFFAOYSA-N
XLogP2.54
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide
CID 145336540
N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129241391
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 162468267
(3S)-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-3-fluoropyrrolidine-3-carboxamide
CID 146329558
N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-3,3-dimethylbutanamide
CID 129241040
tert-butyl (2S)-2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 152676520
5-[3-(trifluoromethyl)-5-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]quinoline-8-carbonitrile
CID 148902518
5-[(3R,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile;hydrochloride
CID 169078024
N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 129241030
(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 121411655
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-(trifluoromethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694866

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide (CID 129240626) is N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NC1CC(C(F)(F)F)CN(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide?
The InChIKey is ABMRUJVAHKHPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O/c1-27(2)12-18(29)26-15-8-14(20(21,22)23)10-28(11-15)17-6-5-13(9-24)19-16(17)4-3-7-25-19/h3-7,14-15H,8,10-12H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide?
N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide has a molecular weight of 405.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 129240626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).