1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

C19H22ClN3O2 — CID 95554855

IUPAC1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)Cc1cccnc1
InChIInChI=1S/C19H22ClN3O2/c1-22(12-15-3-2-8-21-11-15)14-19(24)23-9-10-25-18(13-23)16-4-6-17(20)7-5-16/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyOXCNQXBVUKWFFD-SFHVURJKSA-N
MW359.86 g/mol
LogP2.77
Rot. Bonds5

About 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 95554855) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
PubChem CID95554855
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)Cc1cccnc1
InChIInChI=1S/C19H22ClN3O2/c1-22(12-15-3-2-8-21-11-15)14-19(24)23-9-10-25-18(13-23)16-4-6-17(20)7-5-16/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyOXCNQXBVUKWFFD-SFHVURJKSA-N
XLogP2.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone with MolForge

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Related Compounds

2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124949111
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124972831
1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 110119765
3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125007577
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 110632312
(2R)-2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 129369434
2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 119041502
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (CID 95554855) is 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is CN(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)Cc1cccnc1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The InChIKey is OXCNQXBVUKWFFD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22(12-15-3-2-8-21-11-15)14-19(24)23-9-10-25-18(13-23)16-4-6-17(20)7-5-16/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 359.86 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 95554855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).