N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide

C22H25N5O2 — CID 53070083

IUPACN-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H25N5O2/c1-2-27-19-11-7-6-10-18(19)24-20(21(27)28)25-12-14-26(15-13-25)22(29)23-16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,29)
InChIKeyCLXFMANHJXDWAD-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.45
Rot. Bonds4

About N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide

N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 53070083) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID53070083
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H25N5O2/c1-2-27-19-11-7-6-10-18(19)24-20(21(27)28)25-12-14-26(15-13-25)22(29)23-16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,29)
InChIKeyCLXFMANHJXDWAD-UHFFFAOYSA-N
XLogP2.45
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070091
N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 30444349
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide (CID 53070083) is N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide is CCn1c(=O)c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is CLXFMANHJXDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-27-19-11-7-6-10-18(19)24-20(21(27)28)25-12-14-26(15-13-25)22(29)23-16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,29).
What are the key properties of N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53070083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).