2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

C24H31FN2O2 — CID 86812678

IUPAC2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-24(2,3)19-6-10-22(11-7-19)29-17-23(28)26-21-12-14-27(15-13-21)16-18-4-8-20(25)9-5-18/h4-11,21H,12-17H2,1-3H3,(H,26,28)
InChIKeyXRODQOUMTUBQTP-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 86812678) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID86812678
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-24(2,3)19-6-10-22(11-7-19)29-17-23(28)26-21-12-14-27(15-13-21)16-18-4-8-20(25)9-5-18/h4-11,21H,12-17H2,1-3H3,(H,26,28)
InChIKeyXRODQOUMTUBQTP-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71702291
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (CID 86812678) is 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is CC(C)(C)c1ccc(OCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is XRODQOUMTUBQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-24(2,3)19-6-10-22(11-7-19)29-17-23(28)26-21-12-14-27(15-13-21)16-18-4-8-20(25)9-5-18/h4-11,21H,12-17H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 398.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 86812678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).