1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C18H22N4O3S — CID 48578478

IUPAC1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOCc1nc(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cs1
InChIInChI=1S/C18H22N4O3S/c1-12-3-4-15(19-9-12)21-17(23)13-5-7-22(8-6-13)18(24)14-11-26-16(20-14)10-25-2/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,19,21,23)
InChIKeyCLDYDALIJGWTFK-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 48578478) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID48578478
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOCc1nc(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cs1
InChIInChI=1S/C18H22N4O3S/c1-12-3-4-15(19-9-12)21-17(23)13-5-7-22(8-6-13)18(24)14-11-26-16(20-14)10-25-2/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,19,21,23)
InChIKeyCLDYDALIJGWTFK-UHFFFAOYSA-N
XLogP2.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 56810579
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
1-[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 136515469
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 55809719
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 66375876
[3-(4-ethylphenyl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 136544722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 48578478) is 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is COCc1nc(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cs1.
What is the InChIKey of 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CLDYDALIJGWTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-3-4-15(19-9-12)21-17(23)13-5-7-22(8-6-13)18(24)14-11-26-16(20-14)10-25-2/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,19,21,23).
What are the key properties of 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 48578478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).