1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H26N4O2S — CID 47892218

IUPAC1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3cnc(C(C)(C)C)s3)C2)n1
InChIInChI=1S/C20H26N4O2S/c1-13-7-5-9-16(22-13)23-17(25)14-8-6-10-24(12-14)18(26)15-11-21-19(27-15)20(2,3)4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,22,23,25)
InChIKeyXJKREYPYEDOYON-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 47892218) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID47892218
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3cnc(C(C)(C)C)s3)C2)n1
InChIInChI=1S/C20H26N4O2S/c1-13-7-5-9-16(22-13)23-17(25)14-8-6-10-24(12-14)18(26)15-11-21-19(27-15)20(2,3)4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,22,23,25)
InChIKeyXJKREYPYEDOYON-UHFFFAOYSA-N
XLogP3.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119953217
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120643620
(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97007368
tert-butyl 4-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513052
1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120503103

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 47892218) is 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)c3cnc(C(C)(C)C)s3)C2)n1.
What is the InChIKey of 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is XJKREYPYEDOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-7-5-9-16(22-13)23-17(25)14-8-6-10-24(12-14)18(26)15-11-21-19(27-15)20(2,3)4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,22,23,25).
What are the key properties of 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 47892218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).