[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone

C18H20N2O2 — CID 42515870

IUPAC[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O2/c1-14-17(8-5-9-19-14)18(21)20-10-11-22-16(13-20)12-15-6-3-2-4-7-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyHKXRVBZKRWOBTG-INIZCTEOSA-N
MW296.37 g/mol
LogP2.47
Rot. Bonds3

About [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone

[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 42515870) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID42515870
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O2/c1-14-17(8-5-9-19-14)18(21)20-10-11-22-16(13-20)12-15-6-3-2-4-7-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyHKXRVBZKRWOBTG-INIZCTEOSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116322
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42382131
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 42392462
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
CID 110740953
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone (CID 42515870) is [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is HKXRVBZKRWOBTG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-17(8-5-9-19-14)18(21)20-10-11-22-16(13-20)12-15-6-3-2-4-7-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone?
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 42515870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).