N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide

C18H25N5O — CID 108741263

IUPACN,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C18H25N5O/c1-4-21(5-2)18(24)23-12-10-22(11-13-23)17-14(3)19-15-8-6-7-9-16(15)20-17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyQQAOSPLFZGMLPW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.52
Rot. Bonds3

About N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide

N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 108741263) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID108741263
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C18H25N5O/c1-4-21(5-2)18(24)23-12-10-22(11-13-23)17-14(3)19-15-8-6-7-9-16(15)20-17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyQQAOSPLFZGMLPW-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
CID 82167536
2-[3-methyl-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108741219
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 108741197
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 39999948
2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 108763865
4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108763854

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide (CID 108741263) is N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2nc3ccccc3nc2C)CC1.
What is the InChIKey of N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is QQAOSPLFZGMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-21(5-2)18(24)23-12-10-22(11-13-23)17-14(3)19-15-8-6-7-9-16(15)20-17/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide?
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108741263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).