oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone

C23H30N4O2 — CID 51000569

IUPACoxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(CC(NCc2ccccn2)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(22-10-6-16-29-22)27-14-12-26(13-15-27)18-21(19-7-2-1-3-8-19)25-17-20-9-4-5-11-24-20/h1-5,7-9,11,21-22,25H,6,10,12-18H2
InChIKeyPSFYBZOFVANRRZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.24
Rot. Bonds7

About oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone

oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 51000569) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID51000569
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Nameoxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(CC(NCc2ccccn2)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(22-10-6-16-29-22)27-14-12-26(13-15-27)18-21(19-7-2-1-3-8-19)25-17-20-9-4-5-11-24-20/h1-5,7-9,11,21-22,25H,6,10,12-18H2
InChIKeyPSFYBZOFVANRRZ-UHFFFAOYSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone (CID 51000569) is oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(CC(NCc2ccccn2)c2ccccc2)CC1.
What is the InChIKey of oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is PSFYBZOFVANRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-23(22-10-6-16-29-22)27-14-12-26(13-15-27)18-21(19-7-2-1-3-8-19)25-17-20-9-4-5-11-24-20/h1-5,7-9,11,21-22,25H,6,10,12-18H2.
What are the key properties of oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone?
oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 394.52 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51000569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).