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

C17H21N3OS — CID 119943913

IUPAC3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3(C)CCCNC3)c2)cs1
InChIInChI=1S/C17H21N3OS/c1-12-19-15(10-22-12)13-5-3-6-14(9-13)20-16(21)17(2)7-4-8-18-11-17/h3,5-6,9-10,18H,4,7-8,11H2,1-2H3,(H,20,21)
InChIKeyKIQVYODRYPGNTP-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.45
Rot. Bonds3

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

3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 119943913) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID119943913
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3(C)CCCNC3)c2)cs1
InChIInChI=1S/C17H21N3OS/c1-12-19-15(10-22-12)13-5-3-6-14(9-13)20-16(21)17(2)7-4-8-18-11-17/h3,5-6,9-10,18H,4,7-8,11H2,1-2H3,(H,20,21)
InChIKeyKIQVYODRYPGNTP-UHFFFAOYSA-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

3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139115
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943997
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675510
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
2-(azetidin-3-ylidene)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675511
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 55165281
N-[3-(dimethylsulfamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 119943618

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 119943913) is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)C3(C)CCCNC3)c2)cs1.
What is the InChIKey of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is KIQVYODRYPGNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-19-15(10-22-12)13-5-3-6-14(9-13)20-16(21)17(2)7-4-8-18-11-17/h3,5-6,9-10,18H,4,7-8,11H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-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 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119943913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).