[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone

C16H20N4O — CID 103807129

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC1CCCN(C(=O)c2cnc3ccccc3n2)C1CN
InChIInChI=1S/C16H20N4O/c1-11-5-4-8-20(15(11)9-17)16(21)14-10-18-12-6-2-3-7-13(12)19-14/h2-3,6-7,10-11,15H,4-5,8-9,17H2,1H3
InChIKeyGARWZLXNMZQMTM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.83
Rot. Bonds2

About [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone

[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 103807129) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID103807129
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC1CCCN(C(=O)c2cnc3ccccc3n2)C1CN
InChIInChI=1S/C16H20N4O/c1-11-5-4-8-20(15(11)9-17)16(21)14-10-18-12-6-2-3-7-13(12)19-14/h2-3,6-7,10-11,15H,4-5,8-9,17H2,1H3
InChIKeyGARWZLXNMZQMTM-UHFFFAOYSA-N
XLogP1.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807500
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119597279
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199129
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 124695711
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-benzyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119597371
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 124592696

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone (CID 103807129) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone is CC1CCCN(C(=O)c2cnc3ccccc3n2)C1CN.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is GARWZLXNMZQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-5-4-8-20(15(11)9-17)16(21)14-10-18-12-6-2-3-7-13(12)19-14/h2-3,6-7,10-11,15H,4-5,8-9,17H2,1H3.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 103807129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).