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

C16H20N4O — CID 124628255

IUPAC[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCNC[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H20N4O/c1-17-9-12-5-4-8-20(11-12)16(21)15-10-18-13-6-2-3-7-14(13)19-15/h2-3,6-7,10,12,17H,4-5,8-9,11H2,1H3/t12-/m0/s1
InChIKeyQWJQJAHEQSEDQP-LBPRGKRZSA-N
MW284.36 g/mol
LogP1.70
Rot. Bonds3

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

[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 124628255) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID124628255
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCNC[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H20N4O/c1-17-9-12-5-4-8-20(11-12)16(21)15-10-18-13-6-2-3-7-14(13)19-15/h2-3,6-7,10,12,17H,4-5,8-9,11H2,1H3/t12-/m0/s1
InChIKeyQWJQJAHEQSEDQP-LBPRGKRZSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 124594515
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 107356517
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338
tert-butyl (3R)-3-[(quinoxalin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95929019
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 124628255) is [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone is CNC[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1.
What is the InChIKey of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is QWJQJAHEQSEDQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-9-12-5-4-8-20(11-12)16(21)15-10-18-13-6-2-3-7-14(13)19-15/h2-3,6-7,10,12,17H,4-5,8-9,11H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 124628255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).