(3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide

C15H23N3O3S — CID 164629798

IUPAC(3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN(Cc1cncs1)C(=O)[C@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C15H23N3O3S/c1-12(19)17-5-3-4-13(9-17)15(20)18(6-7-21-2)10-14-8-16-11-22-14/h8,11,13H,3-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyRHBKIEOXCHYUNA-ZDUSSCGKSA-N
MW325.43 g/mol
LogP1.38
Rot. Bonds6

About (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide

(3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 164629798) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID164629798
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN(Cc1cncs1)C(=O)[C@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C15H23N3O3S/c1-12(19)17-5-3-4-13(9-17)15(20)18(6-7-21-2)10-14-8-16-11-22-14/h8,11,13H,3-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyRHBKIEOXCHYUNA-ZDUSSCGKSA-N
XLogP1.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-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 (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide (CID 164629798) is (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide is COCCN(Cc1cncs1)C(=O)[C@H]1CCCN(C(C)=O)C1.
What is the InChIKey of (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is RHBKIEOXCHYUNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(19)17-5-3-4-13(9-17)15(20)18(6-7-21-2)10-14-8-16-11-22-14/h8,11,13H,3-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide?
(3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 164629798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).