[3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate

C26H26N4O4 — CID 69371649

IUPAC[3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate
SMILESO=C(Nc1cnccn1)C(COC(=O)C1(O)c2ccccc2-c2ccccc21)C1CCNCC1
InChIInChI=1S/C26H26N4O4/c31-24(30-23-15-28-13-14-29-23)20(17-9-11-27-12-10-17)16-34-25(32)26(33)21-7-3-1-5-18(21)19-6-2-4-8-22(19)26/h1-8,13-15,17,20,27,33H,9-12,16H2,(H,29,30,31)
InChIKeyOVWATYOPDGBVFU-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.49
Rot. Bonds6

About [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate

[3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate (PubChem CID 69371649) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Name[3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate
PubChem CID69371649
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name[3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate
SMILESO=C(Nc1cnccn1)C(COC(=O)C1(O)c2ccccc2-c2ccccc21)C1CCNCC1
InChIInChI=1S/C26H26N4O4/c31-24(30-23-15-28-13-14-29-23)20(17-9-11-27-12-10-17)16-34-25(32)26(33)21-7-3-1-5-18(21)19-6-2-4-8-22(19)26/h1-8,13-15,17,20,27,33H,9-12,16H2,(H,29,30,31)
InChIKeyOVWATYOPDGBVFU-UHFFFAOYSA-N
XLogP2.49
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate?
The IUPAC name of [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate (CID 69371649) is [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate is O=C(Nc1cnccn1)C(COC(=O)C1(O)c2ccccc2-c2ccccc21)C1CCNCC1.
What is the InChIKey of [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate?
The InChIKey is OVWATYOPDGBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c31-24(30-23-15-28-13-14-29-23)20(17-9-11-27-12-10-17)16-34-25(32)26(33)21-7-3-1-5-18(21)19-6-2-4-8-22(19)26/h1-8,13-15,17,20,27,33H,9-12,16H2,(H,29,30,31).
What are the key properties of [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate?
[3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate has a molecular weight of 458.52 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-2-piperidin-4-yl-3-(pyrazin-2-ylamino)propyl] 9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 69371649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).