N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide

C21H22FN5O — CID 133417231

IUPACN-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
SMILESCc1nc2ccccc2nc1N1CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C21H22FN5O/c1-15-21(25-19-9-5-4-8-18(19)23-15)27-12-10-26(11-13-27)14-20(28)24-17-7-3-2-6-16(17)22/h2-9H,10-14H2,1H3,(H,24,28)
InChIKeyCSHJJJBWNXTILJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.84
Rot. Bonds4

About N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide (PubChem CID 133417231) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
PubChem CID133417231
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
SMILESCc1nc2ccccc2nc1N1CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C21H22FN5O/c1-15-21(25-19-9-5-4-8-18(19)23-15)27-12-10-26(11-13-27)14-20(28)24-17-7-3-2-6-16(17)22/h2-9H,10-14H2,1H3,(H,24,28)
InChIKeyCSHJJJBWNXTILJ-UHFFFAOYSA-N
XLogP2.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417256
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133417199
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 39999948
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417213
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 1439401
2-[4-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 137275960
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide (CID 133417231) is N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide is Cc1nc2ccccc2nc1N1CCN(CC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is CSHJJJBWNXTILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-15-21(25-19-9-5-4-8-18(19)23-15)27-12-10-26(11-13-27)14-20(28)24-17-7-3-2-6-16(17)22/h2-9H,10-14H2,1H3,(H,24,28).
What are the key properties of N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133417231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).