1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C19H25FN2O3 — CID 124618373

IUPAC1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H25FN2O3/c1-24-14-15-6-8-21(9-7-15)13-19(23)22-10-11-25-18(12-22)16-2-4-17(20)5-3-16/h2-6,18H,7-14H2,1H3/t18-/m0/s1
InChIKeyBPCKSRXZVXOQKR-SFHVURJKSA-N
MW348.42 g/mol
LogP2.00
Rot. Bonds5

About 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 124618373) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID124618373
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H25FN2O3/c1-24-14-15-6-8-21(9-7-15)13-19(23)22-10-11-25-18(12-22)16-2-4-17(20)5-3-16/h2-6,18H,7-14H2,1H3/t18-/m0/s1
InChIKeyBPCKSRXZVXOQKR-SFHVURJKSA-N
XLogP2.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
N-[(3S)-1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]piperidin-3-yl]acetamide
CID 124831920
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
[2-(4-fluorophenyl)morpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120615830

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 124618373) is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCC1=CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is BPCKSRXZVXOQKR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-24-14-15-6-8-21(9-7-15)13-19(23)22-10-11-25-18(12-22)16-2-4-17(20)5-3-16/h2-6,18H,7-14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 348.42 g/mol, XLogP of 2.00, 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-fluorophenyl)morpholin-4-yl]-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 124618373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).