1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C20H22N4OS — CID 91952178

IUPAC1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc2nccc(N3CCCC(C(=O)NCc4nccs4)C3)c2c1
InChIInChI=1S/C20H22N4OS/c1-14-4-5-17-16(11-14)18(6-7-21-17)24-9-2-3-15(13-24)20(25)23-12-19-22-8-10-26-19/h4-8,10-11,15H,2-3,9,12-13H2,1H3,(H,23,25)
InChIKeyHQBCBXXGTVRFFE-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.53
Rot. Bonds4

About 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 91952178) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID91952178
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc2nccc(N3CCCC(C(=O)NCc4nccs4)C3)c2c1
InChIInChI=1S/C20H22N4OS/c1-14-4-5-17-16(11-14)18(6-7-21-17)24-9-2-3-15(13-24)20(25)23-12-19-22-8-10-26-19/h4-8,10-11,15H,2-3,9,12-13H2,1H3,(H,23,25)
InChIKeyHQBCBXXGTVRFFE-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952166
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide
CID 91952299
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952168
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
1-(6-fluoroquinolin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 91952252
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 96557748
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 133458927

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 91952178) is 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc2nccc(N3CCCC(C(=O)NCc4nccs4)C3)c2c1.
What is the InChIKey of 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HQBCBXXGTVRFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-4-5-17-16(11-14)18(6-7-21-17)24-9-2-3-15(13-24)20(25)23-12-19-22-8-10-26-19/h4-8,10-11,15H,2-3,9,12-13H2,1H3,(H,23,25).
What are the key properties of 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 91952178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).