2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one

C17H21FN2O3S — CID 78854014

IUPAC2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1NC(C(=O)N2CCC(O)CC2)CSC1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O3S/c18-13-4-2-1-3-11(13)9-15-16(22)19-14(10-24-15)17(23)20-7-5-12(21)6-8-20/h1-4,12,14-15,21H,5-10H2,(H,19,22)
InChIKeyIOGJTAPDNHTJJC-UHFFFAOYSA-N
MW352.43 g/mol
LogP0.95
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one

2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one (PubChem CID 78854014) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one
PubChem CID78854014
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC Name2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1NC(C(=O)N2CCC(O)CC2)CSC1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O3S/c18-13-4-2-1-3-11(13)9-15-16(22)19-14(10-24-15)17(23)20-7-5-12(21)6-8-20/h1-4,12,14-15,21H,5-10H2,(H,19,22)
InChIKeyIOGJTAPDNHTJJC-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one (CID 78854014) is 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one is O=C1NC(C(=O)N2CCC(O)CC2)CSC1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
The InChIKey is IOGJTAPDNHTJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c18-13-4-2-1-3-11(13)9-15-16(22)19-14(10-24-15)17(23)20-7-5-12(21)6-8-20/h1-4,12,14-15,21H,5-10H2,(H,19,22).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one has a molecular weight of 352.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one is sourced from PubChem (CID 78854014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).