[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone

C20H19N3O2 — CID 16674641

IUPAC[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C20H19N3O2/c24-18-13-23(12-9-15(18)14-5-2-1-3-6-14)20(25)16-7-4-8-17-19(16)22-11-10-21-17/h1-8,10-11,15,18,24H,9,12-13H2/t15-,18+/m0/s1
InChIKeyHCZIEGNOHPKEPY-MAUKXSAKSA-N
MW333.39 g/mol
LogP2.62
Rot. Bonds2

About [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone

[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 16674641) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone
PubChem CID16674641
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C20H19N3O2/c24-18-13-23(12-9-15(18)14-5-2-1-3-6-14)20(25)16-7-4-8-17-19(16)22-11-10-21-17/h1-8,10-11,15,18,24H,9,12-13H2/t15-,18+/m0/s1
InChIKeyHCZIEGNOHPKEPY-MAUKXSAKSA-N
XLogP2.62
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone (CID 16674641) is [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone is O=C(c1cccc2nccnc12)N1CC[C@@H](c2ccccc2)[C@H](O)C1.
What is the InChIKey of [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is HCZIEGNOHPKEPY-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18-13-23(12-9-15(18)14-5-2-1-3-6-14)20(25)16-7-4-8-17-19(16)22-11-10-21-17/h1-8,10-11,15,18,24H,9,12-13H2/t15-,18+/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone?
[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 16674641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).