[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C23H25N3O2S — CID 124965658

IUPAC[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4scnc4C)C3)c2)cc1
InChIInChI=1S/C23H25N3O2S/c1-15-11-19(17-6-8-20(28-3)9-7-17)12-21(25-15)18-5-4-10-26(13-18)23(27)22-16(2)24-14-29-22/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3/t18-/m0/s1
InChIKeyIGISWWJBQKMBGN-SFHVURJKSA-N
MW407.54 g/mol
LogP4.85
Rot. Bonds4

About [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 124965658) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID124965658
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4scnc4C)C3)c2)cc1
InChIInChI=1S/C23H25N3O2S/c1-15-11-19(17-6-8-20(28-3)9-7-17)12-21(25-15)18-5-4-10-26(13-18)23(27)22-16(2)24-14-29-22/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3/t18-/m0/s1
InChIKeyIGISWWJBQKMBGN-SFHVURJKSA-N
XLogP4.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
[(3S)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819273
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110252661
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95814319
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 124965658) is [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4scnc4C)C3)c2)cc1.
What is the InChIKey of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is IGISWWJBQKMBGN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-15-11-19(17-6-8-20(28-3)9-7-17)12-21(25-15)18-5-4-10-26(13-18)23(27)22-16(2)24-14-29-22/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 407.54 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124965658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).