[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone

C18H23N3O — CID 124594515

IUPAC[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
SMILESCNC[C@@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C18H23N3O/c1-13-10-17(20-16-8-4-3-7-15(13)16)18(22)21-9-5-6-14(12-21)11-19-2/h3-4,7-8,10,14,19H,5-6,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyLLFILXHBFWGZNG-AWEZNQCLSA-N
MW297.40 g/mol
LogP2.61
Rot. Bonds3

About [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone

[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone (PubChem CID 124594515) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
PubChem CID124594515
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
SMILESCNC[C@@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C18H23N3O/c1-13-10-17(20-16-8-4-3-7-15(13)16)18(22)21-9-5-6-14(12-21)11-19-2/h3-4,7-8,10,14,19H,5-6,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyLLFILXHBFWGZNG-AWEZNQCLSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
[2-(4-methoxyphenyl)quinolin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396458
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
(6-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684515
4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]chromen-2-one
CID 119397937

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The IUPAC name of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone (CID 124594515) is [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone.
What is the SMILES notation for [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The canonical SMILES for [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone is CNC[C@@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1.
What is the InChIKey of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The InChIKey is LLFILXHBFWGZNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-10-17(20-16-8-4-3-7-15(13)16)18(22)21-9-5-6-14(12-21)11-19-2/h3-4,7-8,10,14,19H,5-6,9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone is sourced from PubChem (CID 124594515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).