N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide

C18H27N3O3S — CID 71819814

IUPACN-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCCOCC(=O)N1CCC(c2nc(CNC(=O)C3CCC3)cs2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-24-11-16(22)21-8-6-14(7-9-21)18-20-15(12-25-18)10-19-17(23)13-4-3-5-13/h12-14H,2-11H2,1H3,(H,19,23)
InChIKeyRIRDXDXWIQYAKP-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.30
Rot. Bonds7

About N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide

N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 71819814) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
PubChem CID71819814
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCCOCC(=O)N1CCC(c2nc(CNC(=O)C3CCC3)cs2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-24-11-16(22)21-8-6-14(7-9-21)18-20-15(12-25-18)10-19-17(23)13-4-3-5-13/h12-14H,2-11H2,1H3,(H,19,23)
InChIKeyRIRDXDXWIQYAKP-UHFFFAOYSA-N
XLogP2.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide 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-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (CID 71819814) is N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is CCOCC(=O)N1CCC(c2nc(CNC(=O)C3CCC3)cs2)CC1.
What is the InChIKey of N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is RIRDXDXWIQYAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-24-11-16(22)21-8-6-14(7-9-21)18-20-15(12-25-18)10-19-17(23)13-4-3-5-13/h12-14H,2-11H2,1H3,(H,19,23).
What are the key properties of N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2-ethoxyacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 71819814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).