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

C23H22F3N5O2 — CID 93065217

IUPAC(3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1
InChIInChI=1S/C23H22F3N5O2/c1-14(32)27-16-8-10-17(11-9-16)28-22(33)15-5-4-12-31(13-15)21-20(23(24,25)26)29-18-6-2-3-7-19(18)30-21/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,27,32)(H,28,33)/t15-/m0/s1
InChIKeyAPXTUHXJVPAWBB-HNNXBMFYSA-N
MW457.46 g/mol
LogP4.46
Rot. Bonds4

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

(3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (PubChem CID 93065217) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
PubChem CID93065217
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name(3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1
InChIInChI=1S/C23H22F3N5O2/c1-14(32)27-16-8-10-17(11-9-16)28-22(33)15-5-4-12-31(13-15)21-20(23(24,25)26)29-18-6-2-3-7-19(18)30-21/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,27,32)(H,28,33)/t15-/m0/s1
InChIKeyAPXTUHXJVPAWBB-HNNXBMFYSA-N
XLogP4.46
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063737
N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 53052143
(3R)-N-(4-ethylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063717
(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065205
(3S)-N-(3-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065194
(3S)-N-(2-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065192
N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 53052128
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (CID 93065217) is (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1.
What is the InChIKey of (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The InChIKey is APXTUHXJVPAWBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-14(32)27-16-8-10-17(11-9-16)28-22(33)15-5-4-12-31(13-15)21-20(23(24,25)26)29-18-6-2-3-7-19(18)30-21/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,27,32)(H,28,33)/t15-/m0/s1.
What are the key properties of (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
(3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93065217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).