(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone

C24H24N2O4S — CID 25475322

IUPAC(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(OCc4cscn4)cc3)CC2)cc1
InChIInChI=1S/C24H24N2O4S/c1-29-21-6-2-17(3-7-21)23(27)18-10-12-26(13-11-18)24(28)19-4-8-22(9-5-19)30-14-20-15-31-16-25-20/h2-9,15-16,18H,10-14H2,1H3
InChIKeyMNMJCRONGUEGIC-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.47
Rot. Bonds7

About (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone (PubChem CID 25475322) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
PubChem CID25475322
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(OCc4cscn4)cc3)CC2)cc1
InChIInChI=1S/C24H24N2O4S/c1-29-21-6-2-17(3-7-21)23(27)18-10-12-26(13-11-18)24(28)19-4-8-22(9-5-19)30-14-20-15-31-16-25-20/h2-9,15-16,18H,10-14H2,1H3
InChIKeyMNMJCRONGUEGIC-UHFFFAOYSA-N
XLogP4.47
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 111434178
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 86936536
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 40953818
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone (CID 25475322) is (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(OCc4cscn4)cc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone?
The InChIKey is MNMJCRONGUEGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-21-6-2-17(3-7-21)23(27)18-10-12-26(13-11-18)24(28)19-4-8-22(9-5-19)30-14-20-15-31-16-25-20/h2-9,15-16,18H,10-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone has a molecular weight of 436.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 25475322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).