N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide

C29H36F2N2O2 — CID 171475320

IUPACN-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)C23CCCCC(C2)C3)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H36F2N2O2/c30-29(31,28-15-5-4-8-23(18-28)19-28)24-9-11-26(12-10-24)35-21-27(34)32-25-13-16-33(17-14-25)20-22-6-2-1-3-7-22/h1-3,6-7,9-12,23,25H,4-5,8,13-21H2,(H,32,34)
InChIKeyMRZFTBVGONBLQQ-UHFFFAOYSA-N
MW482.62 g/mol
LogP5.91
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide

N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide (PubChem CID 171475320) has the molecular formula C29H36F2N2O2 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide
PubChem CID171475320
Molecular FormulaC29H36F2N2O2
Molecular Weight482.62 g/mol
Exact Mass482.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)C23CCCCC(C2)C3)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H36F2N2O2/c30-29(31,28-15-5-4-8-23(18-28)19-28)24-9-11-26(12-10-24)35-21-27(34)32-25-13-16-33(17-14-25)20-22-6-2-1-3-7-22/h1-3,6-7,9-12,23,25H,4-5,8,13-21H2,(H,32,34)
InChIKeyMRZFTBVGONBLQQ-UHFFFAOYSA-N
XLogP5.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
1-benzylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-iodophenoxy)acetamide;2-(4-iodophenoxy)acetic acid
CID 158779633
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide
CID 165094374
N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 175194789

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide (CID 171475320) is N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide is O=C(COc1ccc(C(F)(F)C23CCCCC(C2)C3)cc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide?
The InChIKey is MRZFTBVGONBLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2N2O2/c30-29(31,28-15-5-4-8-23(18-28)19-28)24-9-11-26(12-10-24)35-21-27(34)32-25-13-16-33(17-14-25)20-22-6-2-1-3-7-22/h1-3,6-7,9-12,23,25H,4-5,8,13-21H2,(H,32,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide has a molecular weight of 482.62 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[4-[1-bicyclo[4.1.1]octanyl(difluoro)methyl]phenoxy]acetamide is sourced from PubChem (CID 171475320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).