6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one

C27H26N2O2S — CID 69083264

IUPAC6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1ccc2ccccc2c1C1CCCC(=O)N1Cc1cccc(-c2ncc(C)s2)c1
InChIInChI=1S/C27H26N2O2S/c1-18-16-28-27(32-18)21-9-5-7-19(15-21)17-29-23(11-6-12-25(29)30)26-22-10-4-3-8-20(22)13-14-24(26)31-2/h3-5,7-10,13-16,23H,6,11-12,17H2,1-2H3
InChIKeyUBZCKQZTEFFDOL-UHFFFAOYSA-N
MW442.58 g/mol
LogP6.53
Rot. Bonds5

About 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one

6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one (PubChem CID 69083264) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one
PubChem CID69083264
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC Name6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1ccc2ccccc2c1C1CCCC(=O)N1Cc1cccc(-c2ncc(C)s2)c1
InChIInChI=1S/C27H26N2O2S/c1-18-16-28-27(32-18)21-9-5-7-19(15-21)17-29-23(11-6-12-25(29)30)26-22-10-4-3-8-20(22)13-14-24(26)31-2/h3-5,7-10,13-16,23H,6,11-12,17H2,1-2H3
InChIKeyUBZCKQZTEFFDOL-UHFFFAOYSA-N
XLogP6.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one (CID 69083264) is 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one is COc1ccc2ccccc2c1C1CCCC(=O)N1Cc1cccc(-c2ncc(C)s2)c1.
What is the InChIKey of 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is UBZCKQZTEFFDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c1-18-16-28-27(32-18)21-9-5-7-19(15-21)17-29-23(11-6-12-25(29)30)26-22-10-4-3-8-20(22)13-14-24(26)31-2/h3-5,7-10,13-16,23H,6,11-12,17H2,1-2H3.
What are the key properties of 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 442.58 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxynaphthalen-1-yl)-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69083264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).