(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

C17H21N3OS — CID 120618174

IUPAC(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)[C@H]3CCN[C@@H](C)C3)c2)cs1
InChIInChI=1S/C17H21N3OS/c1-11-8-14(6-7-18-11)17(21)20-15-5-3-4-13(9-15)16-10-22-12(2)19-16/h3-5,9-11,14,18H,6-8H2,1-2H3,(H,20,21)/t11-,14-/m0/s1
InChIKeyPURUVQGCIQSJHE-FZMZJTMJSA-N
MW315.44 g/mol
LogP3.45
Rot. Bonds3

About (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 120618174) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID120618174
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)[C@H]3CCN[C@@H](C)C3)c2)cs1
InChIInChI=1S/C17H21N3OS/c1-11-8-14(6-7-18-11)17(21)20-15-5-3-4-13(9-15)16-10-22-12(2)19-16/h3-5,9-11,14,18H,6-8H2,1-2H3,(H,20,21)/t11-,14-/m0/s1
InChIKeyPURUVQGCIQSJHE-FZMZJTMJSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120620482
(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
(3R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986503
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95720015

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 120618174) is (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is Cc1nc(-c2cccc(NC(=O)[C@H]3CCN[C@@H](C)C3)c2)cs1.
What is the InChIKey of (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is PURUVQGCIQSJHE-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-8-14(6-7-18-11)17(21)20-15-5-3-4-13(9-15)16-10-22-12(2)19-16/h3-5,9-11,14,18H,6-8H2,1-2H3,(H,20,21)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120618174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).