(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide

C19H20F3N5O — CID 121411655

IUPAC(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
SMILESC[C@H]1C[C@@H](NC(=O)[C@H](N)C(F)(F)F)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C19H20F3N5O/c1-11-7-13(26-18(28)17(24)19(20,21)22)10-27(9-11)15-5-4-12(8-23)16-14(15)3-2-6-25-16/h2-6,11,13,17H,7,9-10,24H2,1H3,(H,26,28)/t11-,13+,17-/m0/s1
InChIKeySBQCLFUIJZXTLT-PPHDSNJXSA-N
MW391.40 g/mol
LogP2.33
Rot. Bonds3

About (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide

(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide (PubChem CID 121411655) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
PubChem CID121411655
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
SMILESC[C@H]1C[C@@H](NC(=O)[C@H](N)C(F)(F)F)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C19H20F3N5O/c1-11-7-13(26-18(28)17(24)19(20,21)22)10-27(9-11)15-5-4-12(8-23)16-14(15)3-2-6-25-16/h2-6,11,13,17H,7,9-10,24H2,1H3,(H,26,28)/t11-,13+,17-/m0/s1
InChIKeySBQCLFUIJZXTLT-PPHDSNJXSA-N
XLogP2.33
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide (CID 121411655) is (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide is C[C@H]1C[C@@H](NC(=O)[C@H](N)C(F)(F)F)CN(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The InChIKey is SBQCLFUIJZXTLT-PPHDSNJXSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-11-7-13(26-18(28)17(24)19(20,21)22)10-27(9-11)15-5-4-12(8-23)16-14(15)3-2-6-25-16/h2-6,11,13,17H,7,9-10,24H2,1H3,(H,26,28)/t11-,13+,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide has a molecular weight of 391.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 121411655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).