N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

C20H24FN3O2S — CID 56704546

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C
InChIInChI=1S/C20H24FN3O2S/c1-13-14(2)27-18(23-13)11-22-20(26)16-6-7-19(25)24(12-16)9-8-15-4-3-5-17(21)10-15/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,22,26)
InChIKeyKGSPXPVKQPDTGI-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.00
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 56704546) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID56704546
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C
InChIInChI=1S/C20H24FN3O2S/c1-13-14(2)27-18(23-13)11-22-20(26)16-6-7-19(25)24(12-16)9-8-15-4-3-5-17(21)10-15/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,22,26)
InChIKeyKGSPXPVKQPDTGI-UHFFFAOYSA-N
XLogP3.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[2-(3-fluorophenyl)ethyl]-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 25311516
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42516631
(3S)-1-[2-(3-fluorophenyl)ethyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 25371045
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24791193
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
ethyl 3-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]propanoate
CID 26410547
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25492042
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 45183194
(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 42528216
(3S)-N-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25485620
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 24818961

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 56704546) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KGSPXPVKQPDTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-13-14(2)27-18(23-13)11-22-20(26)16-6-7-19(25)24(12-16)9-8-15-4-3-5-17(21)10-15/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 56704546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).