2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone

C17H27N5O2 — CID 124958951

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
SMILESCC(C)N1CCN(CC(=O)N2CCO[C@H](c3cnccn3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-14(2)21-7-5-20(6-8-21)13-17(23)22-9-10-24-16(12-22)15-11-18-3-4-19-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyGJRVVGYSBXDRIP-INIZCTEOSA-N
MW333.44 g/mol
LogP0.40
Rot. Bonds4

About 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone

2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone (PubChem CID 124958951) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
PubChem CID124958951
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
SMILESCC(C)N1CCN(CC(=O)N2CCO[C@H](c3cnccn3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-14(2)21-7-5-20(6-8-21)13-17(23)22-9-10-24-16(12-22)15-11-18-3-4-19-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyGJRVVGYSBXDRIP-INIZCTEOSA-N
XLogP0.40
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone (CID 124958951) is 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone is CC(C)N1CCN(CC(=O)N2CCO[C@H](c3cnccn3)C2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone?
The InChIKey is GJRVVGYSBXDRIP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14(2)21-7-5-20(6-8-21)13-17(23)22-9-10-24-16(12-22)15-11-18-3-4-19-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone?
2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone has a molecular weight of 333.44 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone is sourced from PubChem (CID 124958951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).