1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C18H20FN3O2S — CID 24817562

IUPAC1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H20FN3O2S/c1-21(12-16-20-8-9-25-16)18(24)14-6-7-17(23)22(11-14)10-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-12H2,1H3
InChIKeyLTEORTHPOZKCGW-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 24817562) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID24817562
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H20FN3O2S/c1-21(12-16-20-8-9-25-16)18(24)14-6-7-17(23)22(11-14)10-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-12H2,1H3
InChIKeyLTEORTHPOZKCGW-UHFFFAOYSA-N
XLogP2.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 24817562) is 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1nccs1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LTEORTHPOZKCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-21(12-16-20-8-9-25-16)18(24)14-6-7-17(23)22(11-14)10-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24817562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).