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

C24H33N3O2S — CID 56540350

IUPAC[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCN(Cc4csc(C)n4)CC3)CC2)c1
InChIInChI=1S/C24H33N3O2S/c1-17-4-5-18(2)23(14-17)29-22-8-12-27(13-9-22)24(28)20-6-10-26(11-7-20)15-21-16-30-19(3)25-21/h4-5,14,16,20,22H,6-13,15H2,1-3H3
InChIKeyRXWAMELRVONOEX-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.35
Rot. Bonds5

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

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 56540350) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID56540350
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCN(Cc4csc(C)n4)CC3)CC2)c1
InChIInChI=1S/C24H33N3O2S/c1-17-4-5-18(2)23(14-17)29-22-8-12-27(13-9-22)24(28)20-6-10-26(11-7-20)15-21-16-30-19(3)25-21/h4-5,14,16,20,22H,6-13,15H2,1-3H3
InChIKeyRXWAMELRVONOEX-UHFFFAOYSA-N
XLogP4.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (CID 56540350) is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is Cc1ccc(C)c(OC2CCN(C(=O)C3CCN(Cc4csc(C)n4)CC3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is RXWAMELRVONOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-17-4-5-18(2)23(14-17)29-22-8-12-27(13-9-22)24(28)20-6-10-26(11-7-20)15-21-16-30-19(3)25-21/h4-5,14,16,20,22H,6-13,15H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 427.61 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 56540350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).