[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone

C17H17N5O — CID 95198872

IUPAC[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H17N5O/c23-17(13-4-1-5-15-16(13)19-9-8-18-15)22-10-2-3-12(11-22)14-6-7-20-21-14/h1,4-9,12H,2-3,10-11H2,(H,20,21)/t12-/m0/s1
InChIKeyFIQQFJFVVSNSCW-LBPRGKRZSA-N
MW307.36 g/mol
LogP2.37
Rot. Bonds2

About [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone

[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 95198872) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
PubChem CID95198872
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H17N5O/c23-17(13-4-1-5-15-16(13)19-9-8-18-15)22-10-2-3-12(11-22)14-6-7-20-21-14/h1,4-9,12H,2-3,10-11H2,(H,20,21)/t12-/m0/s1
InChIKeyFIQQFJFVVSNSCW-LBPRGKRZSA-N
XLogP2.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
[3-(2,2-dimethylpropylamino)-2-methylphenyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126772863
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
CID 104615547
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 99929713
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone (CID 95198872) is [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone is O=C(c1cccc2nccnc12)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is FIQQFJFVVSNSCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(13-4-1-5-15-16(13)19-9-8-18-15)22-10-2-3-12(11-22)14-6-7-20-21-14/h1,4-9,12H,2-3,10-11H2,(H,20,21)/t12-/m0/s1.
What are the key properties of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 307.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 95198872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).