[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone

C15H18N4O — CID 104614000

IUPAC[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
SMILESNCC1CCCN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C15H18N4O/c16-9-11-3-2-8-19(10-11)15(20)12-4-1-5-13-14(12)18-7-6-17-13/h1,4-7,11H,2-3,8-10,16H2
InChIKeyAPKJYTPYWGQVNM-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.44
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone

[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 104614000) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
PubChem CID104614000
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
SMILESNCC1CCCN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C15H18N4O/c16-9-11-3-2-8-19(10-11)15(20)12-4-1-5-13-14(12)18-7-6-17-13/h1,4-7,11H,2-3,8-10,16H2
InChIKeyAPKJYTPYWGQVNM-UHFFFAOYSA-N
XLogP1.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
CID 45246737
[3-(aminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119464998
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
CID 104615547
4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
CID 167990829
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone (CID 104614000) is [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone is NCC1CCCN(C(=O)c2cccc3nccnc23)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is APKJYTPYWGQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-9-11-3-2-8-19(10-11)15(20)12-4-1-5-13-14(12)18-7-6-17-13/h1,4-7,11H,2-3,8-10,16H2.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone?
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 104614000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).