2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide

C25H29FN4OS — CID 90710414

IUPAC2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(CC(=O)N(c1ccc(F)cc1)C(c1cscn1)N1CCCCC1)Cc1ccccc1
InChIInChI=1S/C25H29FN4OS/c1-28(16-20-8-4-2-5-9-20)17-24(31)30(22-12-10-21(26)11-13-22)25(23-18-32-19-27-23)29-14-6-3-7-15-29/h2,4-5,8-13,18-19,25H,3,6-7,14-17H2,1H3
InChIKeyVTJASKSZGLYGRS-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.93
Rot. Bonds8

About 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide

2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 90710414) has the molecular formula C25H29FN4OS and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide
PubChem CID90710414
Molecular FormulaC25H29FN4OS
Molecular Weight452.60 g/mol
Exact Mass452.20
IUPAC Name2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(CC(=O)N(c1ccc(F)cc1)C(c1cscn1)N1CCCCC1)Cc1ccccc1
InChIInChI=1S/C25H29FN4OS/c1-28(16-20-8-4-2-5-9-20)17-24(31)30(22-12-10-21(26)11-13-22)25(23-18-32-19-27-23)29-14-6-3-7-15-29/h2,4-5,8-13,18-19,25H,3,6-7,14-17H2,1H3
InChIKeyVTJASKSZGLYGRS-UHFFFAOYSA-N
XLogP4.93
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide (CID 90710414) is 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide is CN(CC(=O)N(c1ccc(F)cc1)C(c1cscn1)N1CCCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is VTJASKSZGLYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4OS/c1-28(16-20-8-4-2-5-9-20)17-24(31)30(22-12-10-21(26)11-13-22)25(23-18-32-19-27-23)29-14-6-3-7-15-29/h2,4-5,8-13,18-19,25H,3,6-7,14-17H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide?
2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 452.60 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 90710414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).