[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone

C16H20N4O — CID 63753376

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESNCCC1CCCCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H20N4O/c17-7-6-13-3-1-2-10-20(13)16(21)12-4-5-14-15(11-12)19-9-8-18-14/h4-5,8-9,11,13H,1-3,6-7,10,17H2
InChIKeyDKENOSWTOZBPFO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds3

About [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone

[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 63753376) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID63753376
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESNCCC1CCCCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H20N4O/c17-7-6-13-3-1-2-10-20(13)16(21)12-4-5-14-15(11-12)19-9-8-18-14/h4-5,8-9,11,13H,1-3,6-7,10,17H2
InChIKeyDKENOSWTOZBPFO-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 80503980
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923438
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid
CID 164641999
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone (CID 63753376) is [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone is NCCC1CCCCN1C(=O)c1ccc2nccnc2c1.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is DKENOSWTOZBPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-7-6-13-3-1-2-10-20(13)16(21)12-4-5-14-15(11-12)19-9-8-18-14/h4-5,8-9,11,13H,1-3,6-7,10,17H2.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 63753376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).