(4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone

C22H24N4O2 — CID 53321673

IUPAC(4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-2-28-21-20(23-18-10-6-7-11-19(18)24-21)22(27)26-14-12-25(13-15-26)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKeyWDPWPIGTMQRYFU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.99
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone

(4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone (PubChem CID 53321673) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone
PubChem CID53321673
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-2-28-21-20(23-18-10-6-7-11-19(18)24-21)22(27)26-14-12-25(13-15-26)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKeyWDPWPIGTMQRYFU-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone (CID 53321673) is (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone is CCOc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone?
The InChIKey is WDPWPIGTMQRYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-28-21-20(23-18-10-6-7-11-19(18)24-21)22(27)26-14-12-25(13-15-26)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone is sourced from PubChem (CID 53321673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).