1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C23H28FN5O — CID 170237612

IUPAC1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CN(c3ccc(C#N)c4ncccc34)CC(C)(F)C2)CC1
InChIInChI=1S/C23H28FN5O/c1-23(24)12-17(22(30)27-18-7-10-28(2)11-8-18)14-29(15-23)20-6-5-16(13-25)21-19(20)4-3-9-26-21/h3-6,9,17-18H,7-8,10-12,14-15H2,1-2H3,(H,27,30)
InChIKeyWLHSGRKZEAQDJU-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.87
Rot. Bonds3

About 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 170237612) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID170237612
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CN(c3ccc(C#N)c4ncccc34)CC(C)(F)C2)CC1
InChIInChI=1S/C23H28FN5O/c1-23(24)12-17(22(30)27-18-7-10-28(2)11-8-18)14-29(15-23)20-6-5-16(13-25)21-19(20)4-3-9-26-21/h3-6,9,17-18H,7-8,10-12,14-15H2,1-2H3,(H,27,30)
InChIKeyWLHSGRKZEAQDJU-UHFFFAOYSA-N
XLogP2.87
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide
CID 129257512
(3S,4S)-1-(8-cyanoquinolin-5-yl)-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 146440477
(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
CID 146424788
1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 129266493
N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129241391
5-[1-[[(1-methylpiperidin-4-yl)amino]methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]quinoline-8-carbonitrile
CID 165124383
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
CID 121411624
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 162468267
5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile
CID 146440660
(6R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 137395366
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265
1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 129241249

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 170237612) is 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CN1CCC(NC(=O)C2CN(c3ccc(C#N)c4ncccc34)CC(C)(F)C2)CC1.
What is the InChIKey of 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is WLHSGRKZEAQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-23(24)12-17(22(30)27-18-7-10-28(2)11-8-18)14-29(15-23)20-6-5-16(13-25)21-19(20)4-3-9-26-21/h3-6,9,17-18H,7-8,10-12,14-15H2,1-2H3,(H,27,30).
What are the key properties of 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 170237612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).