5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one

C19H25FN2O3S — CID 47910754

IUPAC5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
SMILESCCOC1CCCN(C(=O)C2CSC(Cc3ccccc3F)C(=O)N2)C1
InChIInChI=1S/C19H25FN2O3S/c1-2-25-14-7-5-9-22(11-14)19(24)16-12-26-17(18(23)21-16)10-13-6-3-4-8-15(13)20/h3-4,6,8,14,16-17H,2,5,7,9-12H2,1H3,(H,21,23)
InChIKeyCPNJUZDWKWEHPG-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.00
Rot. Bonds5

About 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one

5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one (PubChem CID 47910754) has the molecular formula C19H25FN2O3S and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one.

Molecular Properties

Compound Name5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
PubChem CID47910754
Molecular FormulaC19H25FN2O3S
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
SMILESCCOC1CCCN(C(=O)C2CSC(Cc3ccccc3F)C(=O)N2)C1
InChIInChI=1S/C19H25FN2O3S/c1-2-25-14-7-5-9-22(11-14)19(24)16-12-26-17(18(23)21-16)10-13-6-3-4-8-15(13)20/h3-4,6,8,14,16-17H,2,5,7,9-12H2,1H3,(H,21,23)
InChIKeyCPNJUZDWKWEHPG-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one?
The IUPAC name of 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one (CID 47910754) is 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one.
What is the SMILES notation for 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one?
The canonical SMILES for 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one is CCOC1CCCN(C(=O)C2CSC(Cc3ccccc3F)C(=O)N2)C1.
What is the InChIKey of 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one?
The InChIKey is CPNJUZDWKWEHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3S/c1-2-25-14-7-5-9-22(11-14)19(24)16-12-26-17(18(23)21-16)10-13-6-3-4-8-15(13)20/h3-4,6,8,14,16-17H,2,5,7,9-12H2,1H3,(H,21,23).
What are the key properties of 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one?
5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one is sourced from PubChem (CID 47910754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).