N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide

C20H25N3O3S — CID 53149335

IUPACN-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCOc1ccccc1C(=O)N1CCC(c2nc(CNC(C)=O)cs2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-26-18-7-5-4-6-17(18)20(25)23-10-8-15(9-11-23)19-22-16(13-27-19)12-21-14(2)24/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,24)
InChIKeyKNZKDORBQNSMRS-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.20
Rot. Bonds6

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

N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 53149335) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID53149335
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCOc1ccccc1C(=O)N1CCC(c2nc(CNC(C)=O)cs2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-26-18-7-5-4-6-17(18)20(25)23-10-8-15(9-11-23)19-22-16(13-27-19)12-21-14(2)24/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,24)
InChIKeyKNZKDORBQNSMRS-UHFFFAOYSA-N
XLogP3.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide 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-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 53149335) is N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is CCOc1ccccc1C(=O)N1CCC(c2nc(CNC(C)=O)cs2)CC1.
What is the InChIKey of N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is KNZKDORBQNSMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-26-18-7-5-4-6-17(18)20(25)23-10-8-15(9-11-23)19-22-16(13-27-19)12-21-14(2)24/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2-ethoxybenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 53149335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).