N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide

C25H29N3O2S — CID 24790686

IUPACN-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-27(19-24-26-14-18-31-24)25(29)21-7-9-22(10-8-21)30-23-12-16-28(17-13-23)15-11-20-5-3-2-4-6-20/h2-10,14,18,23H,11-13,15-17,19H2,1H3
InChIKeyZDRHZEOXRFDEEE-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.50
Rot. Bonds8

About N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide

N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 24790686) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID24790686
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-27(19-24-26-14-18-31-24)25(29)21-7-9-22(10-8-21)30-23-12-16-28(17-13-23)15-11-20-5-3-2-4-6-20/h2-10,14,18,23H,11-13,15-17,19H2,1H3
InChIKeyZDRHZEOXRFDEEE-UHFFFAOYSA-N
XLogP4.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 24790686) is N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide is CN(Cc1nccs1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is ZDRHZEOXRFDEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-27(19-24-26-14-18-31-24)25(29)21-7-9-22(10-8-21)30-23-12-16-28(17-13-23)15-11-20-5-3-2-4-6-20/h2-10,14,18,23H,11-13,15-17,19H2,1H3.
What are the key properties of N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 435.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 24790686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).