2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide

C27H28F2N2O2 — CID 55949666

IUPAC2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C27H28F2N2O2/c28-24-11-10-21(17-25(24)29)18-31-14-12-23(13-15-31)30-27(32)19-33-26-9-5-4-8-22(26)16-20-6-2-1-3-7-20/h1-11,17,23H,12-16,18-19H2,(H,30,32)
InChIKeyMOVFGJVVFFKCDW-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.72
Rot. Bonds8

About 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide

2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 55949666) has the molecular formula C27H28F2N2O2 and a molecular weight of 450.53 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID55949666
Molecular FormulaC27H28F2N2O2
Molecular Weight450.53 g/mol
Exact Mass450.21
IUPAC Name2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C27H28F2N2O2/c28-24-11-10-21(17-25(24)29)18-31-14-12-23(13-15-31)30-27(32)19-33-26-9-5-4-8-22(26)16-20-6-2-1-3-7-20/h1-11,17,23H,12-16,18-19H2,(H,30,32)
InChIKeyMOVFGJVVFFKCDW-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 60550321
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55949551
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
2-[2-[(2S)-3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87485938
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide (CID 55949666) is 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide is O=C(COc1ccccc1Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is MOVFGJVVFFKCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O2/c28-24-11-10-21(17-25(24)29)18-31-14-12-23(13-15-31)30-27(32)19-33-26-9-5-4-8-22(26)16-20-6-2-1-3-7-20/h1-11,17,23H,12-16,18-19H2,(H,30,32).
What are the key properties of 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 450.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55949666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).