[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

C17H20N2O3S — CID 70770204

IUPAC[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3cnc(C)s3)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-18-11-16(23-12)17(20)19-9-7-15(8-10-19)22-14-5-3-13(21-2)4-6-14/h3-6,11,15H,7-10H2,1-2H3
InChIKeyCKKSSYDKIZFGOB-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.14
Rot. Bonds4

About [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 70770204) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID70770204
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3cnc(C)s3)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-18-11-16(23-12)17(20)19-9-7-15(8-10-19)22-14-5-3-13(21-2)4-6-14/h3-6,11,15H,7-10H2,1-2H3
InChIKeyCKKSSYDKIZFGOB-UHFFFAOYSA-N
XLogP3.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(difluoromethyl)-1,3-thiazol-5-yl]methanone
CID 166294062
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807435
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (CID 70770204) is [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is COc1ccc(OC2CCN(C(=O)c3cnc(C)s3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is CKKSSYDKIZFGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-18-11-16(23-12)17(20)19-9-7-15(8-10-19)22-14-5-3-13(21-2)4-6-14/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 70770204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).