N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C16H24FN3O2S — CID 128688053

IUPACN-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(CF)CCOCC1)N1CCCCC1c1nccs1
InChIInChI=1S/C16H24FN3O2S/c17-11-16(4-8-22-9-5-16)12-19-15(21)20-7-2-1-3-13(20)14-18-6-10-23-14/h6,10,13H,1-5,7-9,11-12H2,(H,19,21)
InChIKeyOZYUJOBNEYWMOA-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.15
Rot. Bonds4

About N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 128688053) has the molecular formula C16H24FN3O2S and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID128688053
Molecular FormulaC16H24FN3O2S
Molecular Weight341.45 g/mol
Exact Mass341.16
IUPAC NameN-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(CF)CCOCC1)N1CCCCC1c1nccs1
InChIInChI=1S/C16H24FN3O2S/c17-11-16(4-8-22-9-5-16)12-19-15(21)20-7-2-1-3-13(20)14-18-6-10-23-14/h6,10,13H,1-5,7-9,11-12H2,(H,19,21)
InChIKeyOZYUJOBNEYWMOA-UHFFFAOYSA-N
XLogP3.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 128688053) is N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is O=C(NCC1(CF)CCOCC1)N1CCCCC1c1nccs1.
What is the InChIKey of N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is OZYUJOBNEYWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2S/c17-11-16(4-8-22-9-5-16)12-19-15(21)20-7-2-1-3-13(20)14-18-6-10-23-14/h6,10,13H,1-5,7-9,11-12H2,(H,19,21).
What are the key properties of N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128688053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).