1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone

C18H19ClN2O2 — CID 124619075

IUPAC1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccncc1
InChIInChI=1S/C18H19ClN2O2/c1-13-12-23-17(15-3-2-4-16(19)10-15)11-21(13)18(22)9-14-5-7-20-8-6-14/h2-8,10,13,17H,9,11-12H2,1H3/t13-,17-/m0/s1
InChIKeyVHFNEHGWBQQIAD-GUYCJALGSA-N
MW330.81 g/mol
LogP3.27
Rot. Bonds3

About 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone

1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone (PubChem CID 124619075) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
PubChem CID124619075
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccncc1
InChIInChI=1S/C18H19ClN2O2/c1-13-12-23-17(15-3-2-4-16(19)10-15)11-21(13)18(22)9-14-5-7-20-8-6-14/h2-8,10,13,17H,9,11-12H2,1H3/t13-,17-/m0/s1
InChIKeyVHFNEHGWBQQIAD-GUYCJALGSA-N
XLogP3.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619662
1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 124729288
1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
CID 124619460
[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 99823473
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
5-[2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyrrole-3-carbonitrile
CID 119034470
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 99828049
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone (CID 124619075) is 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone is C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccncc1.
What is the InChIKey of 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone?
The InChIKey is VHFNEHGWBQQIAD-GUYCJALGSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-12-23-17(15-3-2-4-16(19)10-15)11-21(13)18(22)9-14-5-7-20-8-6-14/h2-8,10,13,17H,9,11-12H2,1H3/t13-,17-/m0/s1.
What are the key properties of 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone?
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone has a molecular weight of 330.81 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 124619075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).