(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one

C18H22N2O3 — CID 124851606

IUPAC(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
SMILESCC(C)[C@H](C(=O)N1CCO[C@@H](c2ccco2)C1)c1ccncc1
InChIInChI=1S/C18H22N2O3/c1-13(2)17(14-5-7-19-8-6-14)18(21)20-9-11-23-16(12-20)15-4-3-10-22-15/h3-8,10,13,16-17H,9,11-12H2,1-2H3/t16-,17+/m1/s1
InChIKeySOWXFVQJRMRAHH-SJORKVTESA-N
MW314.38 g/mol
LogP3.01
Rot. Bonds4

About (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one

(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one (PubChem CID 124851606) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
PubChem CID124851606
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
SMILESCC(C)[C@H](C(=O)N1CCO[C@@H](c2ccco2)C1)c1ccncc1
InChIInChI=1S/C18H22N2O3/c1-13(2)17(14-5-7-19-8-6-14)18(21)20-9-11-23-16(12-20)15-4-3-10-22-15/h3-8,10,13,16-17H,9,11-12H2,1-2H3/t16-,17+/m1/s1
InChIKeySOWXFVQJRMRAHH-SJORKVTESA-N
XLogP3.01
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one with MolForge

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Related Compounds

2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110619870
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918
(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 99601315
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 136513669
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609222
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609246
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 138000629
2-(furan-2-yl)-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)morpholine-4-carboxamide
CID 167977980
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one (CID 124851606) is (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one is CC(C)[C@H](C(=O)N1CCO[C@@H](c2ccco2)C1)c1ccncc1.
What is the InChIKey of (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one?
The InChIKey is SOWXFVQJRMRAHH-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)17(14-5-7-19-8-6-14)18(21)20-9-11-23-16(12-20)15-4-3-10-22-15/h3-8,10,13,16-17H,9,11-12H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one?
(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one has a molecular weight of 314.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 124851606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).