3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C19H21FN2O3 — CID 95469066

IUPAC3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C19H21FN2O3/c1-12(2)16-8-7-15(18(23)21-16)19(24)22-9-10-25-17(11-22)13-3-5-14(20)6-4-13/h3-8,12,17H,9-11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyVUPIJGKTIBAAKS-QGZVFWFLSA-N
MW344.39 g/mol
LogP2.85
Rot. Bonds3

About 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 95469066) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID95469066
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C19H21FN2O3/c1-12(2)16-8-7-15(18(23)21-16)19(24)22-9-10-25-17(11-22)13-3-5-14(20)6-4-13/h3-8,12,17H,9-11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyVUPIJGKTIBAAKS-QGZVFWFLSA-N
XLogP2.85
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 95469066) is 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is VUPIJGKTIBAAKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12(2)16-8-7-15(18(23)21-16)19(24)22-9-10-25-17(11-22)13-3-5-14(20)6-4-13/h3-8,12,17H,9-11H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 95469066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).