[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone

C18H20N2O3 — CID 118793260

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
SMILESCc1cc(-c2cccc(C(=O)N3CCOCC3CO)c2)ccn1
InChIInChI=1S/C18H20N2O3/c1-13-9-15(5-6-19-13)14-3-2-4-16(10-14)18(22)20-7-8-23-12-17(20)11-21/h2-6,9-10,17,21H,7-8,11-12H2,1H3
InChIKeyGRSPVADIEOEASR-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.89
Rot. Bonds3

About [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone

[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone (PubChem CID 118793260) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
PubChem CID118793260
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
SMILESCc1cc(-c2cccc(C(=O)N3CCOCC3CO)c2)ccn1
InChIInChI=1S/C18H20N2O3/c1-13-9-15(5-6-19-13)14-3-2-4-16(10-14)18(22)20-7-8-23-12-17(20)11-21/h2-6,9-10,17,21H,7-8,11-12H2,1H3
InChIKeyGRSPVADIEOEASR-UHFFFAOYSA-N
XLogP1.89
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone
CID 118781048
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone
CID 125164657
3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532014
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone (CID 118793260) is [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone is Cc1cc(-c2cccc(C(=O)N3CCOCC3CO)c2)ccn1.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone?
The InChIKey is GRSPVADIEOEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-9-15(5-6-19-13)14-3-2-4-16(10-14)18(22)20-7-8-23-12-17(20)11-21/h2-6,9-10,17,21H,7-8,11-12H2,1H3.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone?
[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone is sourced from PubChem (CID 118793260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).