N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

C19H21F3N4O3S — CID 93065189

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)16-17(25-15-4-2-1-3-14(15)24-16)26-8-5-12(6-9-26)18(27)23-13-7-10-30(28,29)11-13/h1-4,12-13H,5-11H2,(H,23,27)/t13-/m0/s1
InChIKeyREFYXOJDVRBTJX-ZDUSSCGKSA-N
MW442.46 g/mol
LogP2.17
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide (PubChem CID 93065189) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
PubChem CID93065189
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)16-17(25-15-4-2-1-3-14(15)24-16)26-8-5-12(6-9-26)18(27)23-13-7-10-30(28,29)11-13/h1-4,12-13H,5-11H2,(H,23,27)/t13-/m0/s1
InChIKeyREFYXOJDVRBTJX-ZDUSSCGKSA-N
XLogP2.17
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1,1-dioxothiolan-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51240387
N-(1,1-dioxothiolan-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
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(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
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(3S)-N-(2-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065192
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CID 17475086
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylpropanamide
CID 38640155
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 27976022
1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
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(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide (CID 93065189) is N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide?
The InChIKey is REFYXOJDVRBTJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c20-19(21,22)16-17(25-15-4-2-1-3-14(15)24-16)26-8-5-12(6-9-26)18(27)23-13-7-10-30(28,29)11-13/h1-4,12-13H,5-11H2,(H,23,27)/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 93065189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).