N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C19H22FN3O2S — CID 24790667

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1csc(CNC(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H22FN3O2S/c1-2-16-12-26-17(22-16)9-21-19(25)14-6-7-18(24)23(11-14)10-13-4-3-5-15(20)8-13/h3-5,8,12,14H,2,6-7,9-11H2,1H3,(H,21,25)
InChIKeyTTXWIIDUTQNTEF-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.90
Rot. Bonds6

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790667) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790667
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1csc(CNC(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H22FN3O2S/c1-2-16-12-26-17(22-16)9-21-19(25)14-6-7-18(24)23(11-14)10-13-4-3-5-15(20)8-13/h3-5,8,12,14H,2,6-7,9-11H2,1H3,(H,21,25)
InChIKeyTTXWIIDUTQNTEF-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790667) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is CCc1csc(CNC(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is TTXWIIDUTQNTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-2-16-12-26-17(22-16)9-21-19(25)14-6-7-18(24)23(11-14)10-13-4-3-5-15(20)8-13/h3-5,8,12,14H,2,6-7,9-11H2,1H3,(H,21,25).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).