1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone

C16H20N4O — CID 43791022

IUPAC1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H20N4O/c1-12(21)20-8-6-13(7-9-20)17-10-14-11-18-15-4-2-3-5-16(15)19-14/h2-5,11,13,17H,6-10H2,1H3
InChIKeyCDPCTKLEYRVJKX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.73
Rot. Bonds3

About 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone

1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 43791022) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID43791022
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H20N4O/c1-12(21)20-8-6-13(7-9-20)17-10-14-11-18-15-4-2-3-5-16(15)19-14/h2-5,11,13,17H,6-10H2,1H3
InChIKeyCDPCTKLEYRVJKX-UHFFFAOYSA-N
XLogP1.73
TPSA58.12 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinoxalin-2-ylmethylamino)cyclohexan-1-ol
CID 43761694
1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)piperidin-1-yl]ethanone
CID 60664512
3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine
CID 64739704
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 42518073
1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
CID 103605566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone (CID 43791022) is 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cnc3ccccc3n2)CC1.
What is the InChIKey of 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is CDPCTKLEYRVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(21)20-8-6-13(7-9-20)17-10-14-11-18-15-4-2-3-5-16(15)19-14/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone?
1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43791022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).