[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone

C14H17N5O — CID 104614004

IUPAC[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
SMILESNCC1CNCCN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C14H17N5O/c15-8-10-9-16-6-7-19(10)14(20)11-2-1-3-12-13(11)18-5-4-17-12/h1-5,10,16H,6-9,15H2
InChIKeyFDHQYFYNSCLFDY-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.00
Rot. Bonds2

About [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone

[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 104614004) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
PubChem CID104614004
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
SMILESNCC1CNCCN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C14H17N5O/c15-8-10-9-16-6-7-19(10)14(20)11-2-1-3-12-13(11)18-5-4-17-12/h1-5,10,16H,6-9,15H2
InChIKeyFDHQYFYNSCLFDY-UHFFFAOYSA-N
XLogP0.00
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 104615552
[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674411
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 74245280
[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104637984
3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775875
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104669016
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone (CID 104614004) is [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone is NCC1CNCCN1C(=O)c1cccc2nccnc12.
What is the InChIKey of [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is FDHQYFYNSCLFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-8-10-9-16-6-7-19(10)14(20)11-2-1-3-12-13(11)18-5-4-17-12/h1-5,10,16H,6-9,15H2.
What are the key properties of [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone?
[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 104614004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).