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

C20H24FN3O2S — CID 24819000

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cs1
InChIInChI=1S/C20H24FN3O2S/c1-14-22-18(13-27-14)12-23(2)20(26)16-6-7-19(25)24(11-16)9-8-15-4-3-5-17(21)10-15/h3-5,10,13,16H,6-9,11-12H2,1-2H3
InChIKeyJHHLXYULTVCNQD-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.03
Rot. Bonds6

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

1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819000) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819000
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cs1
InChIInChI=1S/C20H24FN3O2S/c1-14-22-18(13-27-14)12-23(2)20(26)16-6-7-19(25)24(11-16)9-8-15-4-3-5-17(21)10-15/h3-5,10,13,16H,6-9,11-12H2,1-2H3
InChIKeyJHHLXYULTVCNQD-UHFFFAOYSA-N
XLogP3.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)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 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24819000) is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1nc(CN(C)C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cs1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JHHLXYULTVCNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-14-22-18(13-27-14)12-23(2)20(26)16-6-7-19(25)24(11-16)9-8-15-4-3-5-17(21)10-15/h3-5,10,13,16H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).