3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C25H33FN2O2 — CID 42383715

IUPAC3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C25H33FN2O2/c1-25(2,3)18-28-14-12-22(13-15-28)30-23-7-5-6-20(16-23)24(29)27(4)17-19-8-10-21(26)11-9-19/h5-11,16,22H,12-15,17-18H2,1-4H3
InChIKeyKXFBLNBFGVGYAV-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.99
Rot. Bonds6

About 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 42383715) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID42383715
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C25H33FN2O2/c1-25(2,3)18-28-14-12-22(13-15-28)30-23-7-5-6-20(16-23)24(29)27(4)17-19-8-10-21(26)11-9-19/h5-11,16,22H,12-15,17-18H2,1-4H3
InChIKeyKXFBLNBFGVGYAV-UHFFFAOYSA-N
XLogP4.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 42383715) is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is KXFBLNBFGVGYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-25(2,3)18-28-14-12-22(13-15-28)30-23-7-5-6-20(16-23)24(29)27(4)17-19-8-10-21(26)11-9-19/h5-11,16,22H,12-15,17-18H2,1-4H3.
What are the key properties of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 412.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 42383715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).