(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide

C18H21N3O2S — CID 124607174

IUPAC(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)s1
InChIInChI=1S/C18H21N3O2S/c1-12-10-19-15(24-12)11-20-18(23)14-8-9-16(22)21(2)17(14)13-6-4-3-5-7-13/h3-7,10,14,17H,8-9,11H2,1-2H3,(H,20,23)/t14-,17-/m0/s1
InChIKeyKAIBFPGFYNXGFG-YOEHRIQHSA-N
MW343.45 g/mol
LogP2.68
Rot. Bonds4

About (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide

(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 124607174) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID124607174
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)s1
InChIInChI=1S/C18H21N3O2S/c1-12-10-19-15(24-12)11-20-18(23)14-8-9-16(22)21(2)17(14)13-6-4-3-5-7-13/h3-7,10,14,17H,8-9,11H2,1-2H3,(H,20,23)/t14-,17-/m0/s1
InChIKeyKAIBFPGFYNXGFG-YOEHRIQHSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457770
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 124607174) is (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide is Cc1cnc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)s1.
What is the InChIKey of (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is KAIBFPGFYNXGFG-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-10-19-15(24-12)11-20-18(23)14-8-9-16(22)21(2)17(14)13-6-4-3-5-7-13/h3-7,10,14,17H,8-9,11H2,1-2H3,(H,20,23)/t14-,17-/m0/s1.
What are the key properties of (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 124607174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).