[4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone

C21H22N4O — CID 34580777

IUPAC[4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(20-16-22-18-8-4-5-9-19(18)23-20)25-14-12-24(13-15-25)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyWAXSVNMKDKBCHY-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.63
Rot. Bonds4

About [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 34580777) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID34580777
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(20-16-22-18-8-4-5-9-19(18)23-20)25-14-12-24(13-15-25)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyWAXSVNMKDKBCHY-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 34580777) is [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is WAXSVNMKDKBCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(20-16-22-18-8-4-5-9-19(18)23-20)25-14-12-24(13-15-25)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2.
What are the key properties of [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 34580777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).