1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C16H26N4O3S — CID 72838467

IUPAC1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(CCO)Cc2nccs2)CCC1=O
InChIInChI=1S/C16H26N4O3S/c1-18(2)6-7-19-11-13(3-4-15(19)22)16(23)20(8-9-21)12-14-17-5-10-24-14/h5,10,13,21H,3-4,6-9,11-12H2,1-2H3
InChIKeyDZGCFKYFADOZHX-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.26
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 72838467) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID72838467
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(CCO)Cc2nccs2)CCC1=O
InChIInChI=1S/C16H26N4O3S/c1-18(2)6-7-19-11-13(3-4-15(19)22)16(23)20(8-9-21)12-14-17-5-10-24-14/h5,10,13,21H,3-4,6-9,11-12H2,1-2H3
InChIKeyDZGCFKYFADOZHX-UHFFFAOYSA-N
XLogP0.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide 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 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 72838467) is 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is CN(C)CCN1CC(C(=O)N(CCO)Cc2nccs2)CCC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is DZGCFKYFADOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-18(2)6-7-19-11-13(3-4-15(19)22)16(23)20(8-9-21)12-14-17-5-10-24-14/h5,10,13,21H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72838467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).