3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one

C19H23N3O3 — CID 155494431

IUPAC3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCN(C)C[C@@H]1OCCN(C(=O)c2ccc[nH]c2=O)[C@H]1c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-21(2)13-16-17(14-7-4-3-5-8-14)22(11-12-25-16)19(24)15-9-6-10-20-18(15)23/h3-10,16-17H,11-13H2,1-2H3,(H,20,23)/t16-,17-/m0/s1
InChIKeyMFYHXWRIDVWPKL-IRXDYDNUSA-N
MW341.41 g/mol
LogP1.52
Rot. Bonds4

About 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one

3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 155494431) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID155494431
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCN(C)C[C@@H]1OCCN(C(=O)c2ccc[nH]c2=O)[C@H]1c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-21(2)13-16-17(14-7-4-3-5-8-14)22(11-12-25-16)19(24)15-9-6-10-20-18(15)23/h3-10,16-17H,11-13H2,1-2H3,(H,20,23)/t16-,17-/m0/s1
InChIKeyMFYHXWRIDVWPKL-IRXDYDNUSA-N
XLogP1.52
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155508906
(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155495074
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 155492694
[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155506426
[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(4-fluoro-3-hydroxyphenyl)methanone;formic acid
CID 155940242
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 155502029
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one
CID 155502177
4-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 155505387
3-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]-1H-pyrazin-2-one;formic acid
CID 155938692
1,3-dihydro-2-benzofuran-4-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 157015556
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one (CID 155494431) is 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one is CN(C)C[C@@H]1OCCN(C(=O)c2ccc[nH]c2=O)[C@H]1c1ccccc1.
What is the InChIKey of 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is MFYHXWRIDVWPKL-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21(2)13-16-17(14-7-4-3-5-8-14)22(11-12-25-16)19(24)15-9-6-10-20-18(15)23/h3-10,16-17H,11-13H2,1-2H3,(H,20,23)/t16-,17-/m0/s1.
What are the key properties of 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one?
3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155494431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).