N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide

C20H28FN3O2S — CID 46137477

IUPACN-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CN2C(=O)CSC2c2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2S/c1-20(2,3)22-19(26)23-10-8-14(9-11-23)12-24-17(25)13-27-18(24)15-6-4-5-7-16(15)21/h4-7,14,18H,8-13H2,1-3H3,(H,22,26)
InChIKeyCDFFFOWGVJXPEY-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.62
Rot. Bonds3

About N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 46137477) has the molecular formula C20H28FN3O2S and a molecular weight of 393.53 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide
PubChem CID46137477
Molecular FormulaC20H28FN3O2S
Molecular Weight393.53 g/mol
Exact Mass393.19
IUPAC NameN-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CN2C(=O)CSC2c2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2S/c1-20(2,3)22-19(26)23-10-8-14(9-11-23)12-24-17(25)13-27-18(24)15-6-4-5-7-16(15)21/h4-7,14,18H,8-13H2,1-3H3,(H,22,26)
InChIKeyCDFFFOWGVJXPEY-UHFFFAOYSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide (CID 46137477) is N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CN2C(=O)CSC2c2ccccc2F)CC1.
What is the InChIKey of N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is CDFFFOWGVJXPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2S/c1-20(2,3)22-19(26)23-10-8-14(9-11-23)12-24-17(25)13-27-18(24)15-6-4-5-7-16(15)21/h4-7,14,18H,8-13H2,1-3H3,(H,22,26).
What are the key properties of N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46137477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).