[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C22H21N7O — CID 134503247

IUPAC[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C22H21N7O/c30-22(17-7-1-4-10-20(17)29-24-11-12-25-29)28-13-5-6-16(15-28)26-21-14-23-18-8-2-3-9-19(18)27-21/h1-4,7-12,14,16H,5-6,13,15H2,(H,26,27)/t16-/m1/s1
InChIKeyOKVYERDWQXJNNB-MRXNPFEDSA-N
MW399.46 g/mol
LogP2.93
Rot. Bonds4

About [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 134503247) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID134503247
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C22H21N7O/c30-22(17-7-1-4-10-20(17)29-24-11-12-25-29)28-13-5-6-16(15-28)26-21-14-23-18-8-2-3-9-19(18)27-21/h1-4,7-12,14,16H,5-6,13,15H2,(H,26,27)/t16-/m1/s1
InChIKeyOKVYERDWQXJNNB-MRXNPFEDSA-N
XLogP2.93
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 68972237
[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145111894
methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 144872023
[4-methyl-2-(triazol-2-yl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503161
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935
[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503179
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 134503384
S-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate
CID 145108146
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
[3-[(7-chloroquinoxalin-2-yl)amino]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 74834650
[3-[(6,7-difluoroquinoxalin-2-yl)amino]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 74829936

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 134503247) is [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Nc2cnc3ccccc3n2)C1.
What is the InChIKey of [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is OKVYERDWQXJNNB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(17-7-1-4-10-20(17)29-24-11-12-25-29)28-13-5-6-16(15-28)26-21-14-23-18-8-2-3-9-19(18)27-21/h1-4,7-12,14,16H,5-6,13,15H2,(H,26,27)/t16-/m1/s1.
What are the key properties of [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 399.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 134503247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).