[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone

C16H20N4O — CID 107356517

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESNCCC1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H20N4O/c17-8-7-12-4-3-9-20(11-12)16(21)15-10-18-13-5-1-2-6-14(13)19-15/h1-2,5-6,10,12H,3-4,7-9,11,17H2
InChIKeyNRFIMHQHQPTFMD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.83
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone

[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 107356517) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID107356517
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESNCCC1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H20N4O/c17-8-7-12-4-3-9-20(11-12)16(21)15-10-18-13-5-1-2-6-14(13)19-15/h1-2,5-6,10,12H,3-4,7-9,11,17H2
InChIKeyNRFIMHQHQPTFMD-UHFFFAOYSA-N
XLogP1.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807500
quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642632
[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727554
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 107356517) is [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone is NCCC1CCCN(C(=O)c2cnc3ccccc3n2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is NRFIMHQHQPTFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-8-7-12-4-3-9-20(11-12)16(21)15-10-18-13-5-1-2-6-14(13)19-15/h1-2,5-6,10,12H,3-4,7-9,11,17H2.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 107356517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).