4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C16H18FN3O2S — CID 145485976

IUPAC4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18FN3O2S/c1-11-10-23-15(18-11)19-16(21)20-8-6-14(7-9-20)22-13-4-2-12(17)3-5-13/h2-5,10,14H,6-9H2,1H3,(H,18,19,21)
InChIKeyFJPDPHVVKLMLLO-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.67
Rot. Bonds3

About 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 145485976) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID145485976
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18FN3O2S/c1-11-10-23-15(18-11)19-16(21)20-8-6-14(7-9-20)22-13-4-2-12(17)3-5-13/h2-5,10,14H,6-9H2,1H3,(H,18,19,21)
InChIKeyFJPDPHVVKLMLLO-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 145485976) is 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is FJPDPHVVKLMLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-11-10-23-15(18-11)19-16(21)20-8-6-14(7-9-20)22-13-4-2-12(17)3-5-13/h2-5,10,14H,6-9H2,1H3,(H,18,19,21).
What are the key properties of 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 145485976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).