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

C19H22FN3O2S — CID 24790672

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1csc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H22FN3O2S/c1-13-12-26-17(22-13)10-21-19(25)15-5-6-18(24)23(11-15)8-7-14-3-2-4-16(20)9-14/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,21,25)
InChIKeyISBZYDNEIVPCHC-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.69
Rot. Bonds6

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

1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790672) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790672
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1csc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H22FN3O2S/c1-13-12-26-17(22-13)10-21-19(25)15-5-6-18(24)23(11-15)8-7-14-3-2-4-16(20)9-14/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,21,25)
InChIKeyISBZYDNEIVPCHC-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790672) is 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1csc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ISBZYDNEIVPCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-13-12-26-17(22-13)10-21-19(25)15-5-6-18(24)23(11-15)8-7-14-3-2-4-16(20)9-14/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,21,25).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).