4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid

C17H19N3O3S — CID 22240782

IUPAC4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid
SMILESNC(=O)C(c1nccs1)C1(c2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C17H19N3O3S/c18-14(21)13(15-19-8-11-24-15)17(12-4-2-1-3-5-12)6-9-20(10-7-17)16(22)23/h1-5,8,11,13H,6-7,9-10H2,(H2,18,21)(H,22,23)
InChIKeyOCPJHPRXFLRPNM-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.42
Rot. Bonds4

About 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid

4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid (PubChem CID 22240782) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid
PubChem CID22240782
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid
SMILESNC(=O)C(c1nccs1)C1(c2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C17H19N3O3S/c18-14(21)13(15-19-8-11-24-15)17(12-4-2-1-3-5-12)6-9-20(10-7-17)16(22)23/h1-5,8,11,13H,6-7,9-10H2,(H2,18,21)(H,22,23)
InChIKeyOCPJHPRXFLRPNM-UHFFFAOYSA-N
XLogP2.42
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid 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 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid (CID 22240782) is 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid is NC(=O)C(c1nccs1)C1(c2ccccc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is OCPJHPRXFLRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-14(21)13(15-19-8-11-24-15)17(12-4-2-1-3-5-12)6-9-20(10-7-17)16(22)23/h1-5,8,11,13H,6-7,9-10H2,(H2,18,21)(H,22,23).
What are the key properties of 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid?
4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22240782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).