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

C25H30N4OS — CID 55923069

IUPACN-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(Cc3csc(-c4ccc(C(C)C)cc4)n3)CC2)c1
InChIInChI=1S/C25H30N4OS/c1-17(2)19-4-6-21(7-5-19)25-27-22(16-31-25)15-29-12-9-20(10-13-29)24(30)28-23-14-18(3)8-11-26-23/h4-8,11,14,16-17,20H,9-10,12-13,15H2,1-3H3,(H,26,28,30)
InChIKeyJXXGECWMNROKAO-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.49
Rot. Bonds6

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

N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 55923069) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID55923069
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC NameN-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(Cc3csc(-c4ccc(C(C)C)cc4)n3)CC2)c1
InChIInChI=1S/C25H30N4OS/c1-17(2)19-4-6-21(7-5-19)25-27-22(16-31-25)15-29-12-9-20(10-13-29)24(30)28-23-14-18(3)8-11-26-23/h4-8,11,14,16-17,20H,9-10,12-13,15H2,1-3H3,(H,26,28,30)
InChIKeyJXXGECWMNROKAO-UHFFFAOYSA-N
XLogP5.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26652312
N-(5-chloro-2-pyridinyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55816063
1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide
CID 55738225
1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931242
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455
methyl 1-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 155948517
3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]propanoic acid
CID 122101047
1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816268
N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8714383

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide (CID 55923069) is N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(Cc3csc(-c4ccc(C(C)C)cc4)n3)CC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is JXXGECWMNROKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-17(2)19-4-6-21(7-5-19)25-27-22(16-31-25)15-29-12-9-20(10-13-29)24(30)28-23-14-18(3)8-11-26-23/h4-8,11,14,16-17,20H,9-10,12-13,15H2,1-3H3,(H,26,28,30).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55923069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).