(4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone

C20H20N4O — CID 46652315

IUPAC(4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(19-14-21-17-8-4-5-9-18(17)22-19)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyAUCOYUJMKYDNIZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.59
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone

(4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone (PubChem CID 46652315) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone
PubChem CID46652315
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(19-14-21-17-8-4-5-9-18(17)22-19)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyAUCOYUJMKYDNIZ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone (CID 46652315) is (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone?
The InChIKey is AUCOYUJMKYDNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(19-14-21-17-8-4-5-9-18(17)22-19)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2.
What are the key properties of (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone?
(4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 46652315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).