[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone

C15H19N5O — CID 80503980

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCN1CCN(C(=O)c2ccc3nccnc3c2)C(CN)C1
InChIInChI=1S/C15H19N5O/c1-19-6-7-20(12(9-16)10-19)15(21)11-2-3-13-14(8-11)18-5-4-17-13/h2-5,8,12H,6-7,9-10,16H2,1H3
InChIKeyDOJJQMOUHOLTQC-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.34
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 80503980) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID80503980
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCN1CCN(C(=O)c2ccc3nccnc3c2)C(CN)C1
InChIInChI=1S/C15H19N5O/c1-19-6-7-20(12(9-16)10-19)15(21)11-2-3-13-14(8-11)18-5-4-17-13/h2-5,8,12H,6-7,9-10,16H2,1H3
InChIKeyDOJJQMOUHOLTQC-UHFFFAOYSA-N
XLogP0.34
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 80504536
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80505001
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80504967
[2-(aminomethyl)-4-methylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80504994
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 75495914
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 63753376
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 80504960
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940117

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone (CID 80503980) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone is CN1CCN(C(=O)c2ccc3nccnc3c2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is DOJJQMOUHOLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-6-7-20(12(9-16)10-19)15(21)11-2-3-13-14(8-11)18-5-4-17-13/h2-5,8,12H,6-7,9-10,16H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 285.35 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 80503980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).