N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide

C21H24F2N6O2 — CID 129241013

IUPACN-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NC1CN(c2ccc(C#N)c3nccnc23)CC(F)(F)C1)N1CCOCC1
InChIInChI=1S/C21H24F2N6O2/c1-14(28-6-8-31-9-7-28)20(30)27-16-10-21(22,23)13-29(12-16)17-3-2-15(11-24)18-19(17)26-5-4-25-18/h2-5,14,16H,6-10,12-13H2,1H3,(H,27,30)
InChIKeyBBTFFJHFYTZNNX-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.55
Rot. Bonds4

About N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide

N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide (PubChem CID 129241013) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide
PubChem CID129241013
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC NameN-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NC1CN(c2ccc(C#N)c3nccnc23)CC(F)(F)C1)N1CCOCC1
InChIInChI=1S/C21H24F2N6O2/c1-14(28-6-8-31-9-7-28)20(30)27-16-10-21(22,23)13-29(12-16)17-3-2-15(11-24)18-19(17)26-5-4-25-18/h2-5,14,16H,6-10,12-13H2,1H3,(H,27,30)
InChIKeyBBTFFJHFYTZNNX-UHFFFAOYSA-N
XLogP1.55
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide with MolForge

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Related Compounds

2-(azetidin-1-yl)-N-[5,5-difluoro-1-[8-(methyliminomethyl)quinoxalin-5-yl]piperidin-3-yl]propanamide
CID 129276844
(2R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 146329280
N-[(3R)-1-(8-cyanoquinolin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129241391
(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-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide
CID 129257512
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 162468267
[3-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
CID 129240989
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
8-[5-[[4-(dimethylamino)-1-oxobutan-2-yl]amino]-3,3-dimethylpiperidin-1-yl]quinoxaline-5-carbonitrile
CID 145336440
N-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 146316841
(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
CID 129241062
ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
CID 153398932

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide (CID 129241013) is N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide is CC(C(=O)NC1CN(c2ccc(C#N)c3nccnc23)CC(F)(F)C1)N1CCOCC1.
What is the InChIKey of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide?
The InChIKey is BBTFFJHFYTZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O2/c1-14(28-6-8-31-9-7-28)20(30)27-16-10-21(22,23)13-29(12-16)17-3-2-15(11-24)18-19(17)26-5-4-25-18/h2-5,14,16H,6-10,12-13H2,1H3,(H,27,30).
What are the key properties of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide?
N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide has a molecular weight of 430.46 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 129241013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).