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

C26H31N3O2S — CID 24794039

IUPACN-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(c1nccs1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N3O2S/c1-20(25-27-15-19-32-25)28(2)26(30)22-8-10-23(11-9-22)31-24-13-17-29(18-14-24)16-12-21-6-4-3-5-7-21/h3-11,15,19-20,24H,12-14,16-18H2,1-2H3
InChIKeyCGIGALWQMLKWKR-UHFFFAOYSA-N
MW449.62 g/mol
LogP5.06
Rot. Bonds8

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

N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 24794039) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID24794039
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC NameN-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(c1nccs1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N3O2S/c1-20(25-27-15-19-32-25)28(2)26(30)22-8-10-23(11-9-22)31-24-13-17-29(18-14-24)16-12-21-6-4-3-5-7-21/h3-11,15,19-20,24H,12-14,16-18H2,1-2H3
InChIKeyCGIGALWQMLKWKR-UHFFFAOYSA-N
XLogP5.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 55.06
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-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 24794039) is N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is CC(c1nccs1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is CGIGALWQMLKWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-20(25-27-15-19-32-25)28(2)26(30)22-8-10-23(11-9-22)31-24-13-17-29(18-14-24)16-12-21-6-4-3-5-7-21/h3-11,15,19-20,24H,12-14,16-18H2,1-2H3.
What are the key properties of N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 449.62 g/mol, XLogP of 5.06, 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-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 24794039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).