(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone

C14H16N4O — CID 103629638

IUPAC(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
SMILESNC1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H16N4O/c15-10-4-3-7-18(9-10)14(19)13-8-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,8,10H,3-4,7,9,15H2
InChIKeyXJTZCZNVFQIYLB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.19
Rot. Bonds1

About (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone

(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone (PubChem CID 103629638) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
PubChem CID103629638
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
SMILESNC1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H16N4O/c15-10-4-3-7-18(9-10)14(19)13-8-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,8,10H,3-4,7,9,15H2
InChIKeyXJTZCZNVFQIYLB-UHFFFAOYSA-N
XLogP1.19
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 107356517
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[(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
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-2-yl)methanone;dihydrochloride
CID 119635006
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95343896
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 91627765

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone?
The IUPAC name of (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone (CID 103629638) is (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone is NC1CCCN(C(=O)c2cnc3ccccc3n2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone?
The InChIKey is XJTZCZNVFQIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-10-4-3-7-18(9-10)14(19)13-8-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,8,10H,3-4,7,9,15H2.
What are the key properties of (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone?
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 103629638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).