(2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide

C19H21F3N6O — CID 129240726

IUPAC(2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide
SMILESCC1(C)C[C@@H](NC(=O)[C@@H](N)C(F)(F)F)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C19H21F3N6O/c1-18(2)7-12(27-17(29)16(24)19(20,21)22)9-28(10-18)13-4-3-11(8-23)14-15(13)26-6-5-25-14/h3-6,12,16H,7,9-10,24H2,1-2H3,(H,27,29)/t12-,16-/m1/s1
InChIKeyHVCCSTQRBKKWKK-MLGOLLRUSA-N
MW406.41 g/mol
LogP2.11
Rot. Bonds3

About (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide

(2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide (PubChem CID 129240726) has the molecular formula C19H21F3N6O and a molecular weight of 406.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide
PubChem CID129240726
Molecular FormulaC19H21F3N6O
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC Name(2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide
SMILESCC1(C)C[C@@H](NC(=O)[C@@H](N)C(F)(F)F)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C19H21F3N6O/c1-18(2)7-12(27-17(29)16(24)19(20,21)22)9-28(10-18)13-4-3-11(8-23)14-15(13)26-6-5-25-14/h3-6,12,16H,7,9-10,24H2,1-2H3,(H,27,29)/t12-,16-/m1/s1
InChIKeyHVCCSTQRBKKWKK-MLGOLLRUSA-N
XLogP2.11
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide (CID 129240726) is (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide is CC1(C)C[C@@H](NC(=O)[C@@H](N)C(F)(F)F)CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The InChIKey is HVCCSTQRBKKWKK-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H21F3N6O/c1-18(2)7-12(27-17(29)16(24)19(20,21)22)9-28(10-18)13-4-3-11(8-23)14-15(13)26-6-5-25-14/h3-6,12,16H,7,9-10,24H2,1-2H3,(H,27,29)/t12-,16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
(2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide has a molecular weight of 406.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-dimethylpiperidin-3-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 129240726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).