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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Related Compounds

N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 59836648
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24792029
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(3S)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42343229
N-[2-(dimethylamino)ethyl]-3-[1-[[3-[2-(4-fluorophenyl)ethynyl]phenyl]methyl]piperidin-4-yl]oxybenzamide
CID 71170949
[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 25303632
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813
4-(dimethylamino)-1-[3-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-(4-fluorophenyl)butan-1-one
CID 58356744
4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
CID 12002070
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211

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).