(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C22H21N3O3S — CID 9398748

IUPAC(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-28-17-9-7-16(8-10-17)25-19(26)12-11-18(20(25)15-5-3-2-4-6-15)21(27)24-22-23-13-14-29-22/h2-10,13-14,18,20H,11-12H2,1H3,(H,23,24,27)/t18-,20+/m1/s1
InChIKeyUFNXJSYDZUAQNI-QUCCMNQESA-N
MW407.50 g/mol
LogP4.27
Rot. Bonds5

About (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 9398748) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID9398748
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-28-17-9-7-16(8-10-17)25-19(26)12-11-18(20(25)15-5-3-2-4-6-15)21(27)24-22-23-13-14-29-22/h2-10,13-14,18,20H,11-12H2,1H3,(H,23,24,27)/t18-,20+/m1/s1
InChIKeyUFNXJSYDZUAQNI-QUCCMNQESA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)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

Related Compounds

(2S,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398753
(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 9398550
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
1,2-bis(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 16551077
(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 41170583
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112791279
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26252939
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 43020518
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 9398748) is (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is UFNXJSYDZUAQNI-QUCCMNQESA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-28-17-9-7-16(8-10-17)25-19(26)12-11-18(20(25)15-5-3-2-4-6-15)21(27)24-22-23-13-14-29-22/h2-10,13-14,18,20H,11-12H2,1H3,(H,23,24,27)/t18-,20+/m1/s1.
What are the key properties of (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 9398748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).