3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone

C23H28N4O2S — CID 3824539

IUPAC3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CC=CCC2)c(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1
InChIInChI=1S/C23H28N4O2S/c1-15-7-8-19(22(28)26-11-5-4-6-12-26)20(24-15)18-9-13-27(14-10-18)23(29)21-16(2)25-17(3)30-21/h4-5,7-8,18H,6,9-14H2,1-3H3
InChIKeyIRTMUZLSFXEDCJ-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.89
Rot. Bonds3

About 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone

3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone (PubChem CID 3824539) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
PubChem CID3824539
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CC=CCC2)c(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1
InChIInChI=1S/C23H28N4O2S/c1-15-7-8-19(22(28)26-11-5-4-6-12-26)20(24-15)18-9-13-27(14-10-18)23(29)21-16(2)25-17(3)30-21/h4-5,7-8,18H,6,9-14H2,1-3H3
InChIKeyIRTMUZLSFXEDCJ-UHFFFAOYSA-N
XLogP3.89
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6-dihydro-2H-pyridin-1-yl-[6-methyl-2-[1-(5-nitrothiophene-3-carbonyl)piperidin-4-yl]-3-pyridinyl]methanone
CID 3822950
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 3709105
[2-[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3747807
1-[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 3734214
5-[2-[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 5017947
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3471169
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 74226160
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone (CID 3824539) is 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone is Cc1ccc(C(=O)N2CC=CCC2)c(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The InChIKey is IRTMUZLSFXEDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-15-7-8-19(22(28)26-11-5-4-6-12-26)20(24-15)18-9-13-27(14-10-18)23(29)21-16(2)25-17(3)30-21/h4-5,7-8,18H,6,9-14H2,1-3H3.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone has a molecular weight of 424.57 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 3824539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).