[3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid

C19H19F3N6O3 — CID 129251105

IUPAC[3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
SMILESC[C@@H]1CNC[C@](NC(=O)C(NC(=O)O)C(F)(F)F)(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C19H19F3N6O3/c1-10-6-18(9-24-8-10,28-16(29)15(19(20,21)22)27-17(30)31)12-3-2-11(7-23)13-14(12)26-5-4-25-13/h2-5,10,15,24,27H,6,8-9H2,1H3,(H,28,29)(H,30,31)/t10-,15?,18-/m0/s1
InChIKeyHIWKLNCERWXAMT-NKGTWCKESA-N
MW436.39 g/mol
LogP1.64
Rot. Bonds4

About [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid

[3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid (PubChem CID 129251105) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
PubChem CID129251105
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC Name[3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
SMILESC[C@@H]1CNC[C@](NC(=O)C(NC(=O)O)C(F)(F)F)(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C19H19F3N6O3/c1-10-6-18(9-24-8-10,28-16(29)15(19(20,21)22)27-17(30)31)12-3-2-11(7-23)13-14(12)26-5-4-25-13/h2-5,10,15,24,27H,6,8-9H2,1H3,(H,28,29)(H,30,31)/t10-,15?,18-/m0/s1
InChIKeyHIWKLNCERWXAMT-NKGTWCKESA-N
XLogP1.64
TPSA140.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid 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 [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid?
The IUPAC name of [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid (CID 129251105) is [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid is C[C@@H]1CNC[C@](NC(=O)C(NC(=O)O)C(F)(F)F)(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid?
The InChIKey is HIWKLNCERWXAMT-NKGTWCKESA-N. The full InChI is InChI=1S/C19H19F3N6O3/c1-10-6-18(9-24-8-10,28-16(29)15(19(20,21)22)27-17(30)31)12-3-2-11(7-23)13-14(12)26-5-4-25-13/h2-5,10,15,24,27H,6,8-9H2,1H3,(H,28,29)(H,30,31)/t10-,15?,18-/m0/s1.
What are the key properties of [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid?
[3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid has a molecular weight of 436.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 129251105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).