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

C16H25N3O3S — CID 24816728

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCc2nc(C)c(C)s2)CCC1=O
InChIInChI=1S/C16H25N3O3S/c1-11-12(2)23-14(18-11)6-7-17-16(21)13-4-5-15(20)19(10-13)8-9-22-3/h13H,4-10H2,1-3H3,(H,17,21)
InChIKeyHTDWRTOIIIJUSZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.30
Rot. Bonds7

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24816728) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24816728
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCc2nc(C)c(C)s2)CCC1=O
InChIInChI=1S/C16H25N3O3S/c1-11-12(2)23-14(18-11)6-7-17-16(21)13-4-5-15(20)19(10-13)8-9-22-3/h13H,4-10H2,1-3H3,(H,17,21)
InChIKeyHTDWRTOIIIJUSZ-UHFFFAOYSA-N
XLogP1.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 24816728) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is COCCN1CC(C(=O)NCCc2nc(C)c(C)s2)CCC1=O.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HTDWRTOIIIJUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-12(2)23-14(18-11)6-7-17-16(21)13-4-5-15(20)19(10-13)8-9-22-3/h13H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24816728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).