N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide

C28H30F2N2O2 — CID 170089296

IUPACN-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide
SMILESCc1cc(F)c(N2CCC(COc3ccc(C)c(NC(=O)Cc4ccccc4)c3)CC2)c(F)c1
InChIInChI=1S/C28H30F2N2O2/c1-19-14-24(29)28(25(30)15-19)32-12-10-22(11-13-32)18-34-23-9-8-20(2)26(17-23)31-27(33)16-21-6-4-3-5-7-21/h3-9,14-15,17,22H,10-13,16,18H2,1-2H3,(H,31,33)
InChIKeyFDNJUXLMFOXEGZ-UHFFFAOYSA-N
MW464.56 g/mol
LogP6.06
Rot. Bonds7

About N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide

N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide (PubChem CID 170089296) has the molecular formula C28H30F2N2O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide
PubChem CID170089296
Molecular FormulaC28H30F2N2O2
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC NameN-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide
SMILESCc1cc(F)c(N2CCC(COc3ccc(C)c(NC(=O)Cc4ccccc4)c3)CC2)c(F)c1
InChIInChI=1S/C28H30F2N2O2/c1-19-14-24(29)28(25(30)15-19)32-12-10-22(11-13-32)18-34-23-9-8-20(2)26(17-23)31-27(33)16-21-6-4-3-5-7-21/h3-9,14-15,17,22H,10-13,16,18H2,1-2H3,(H,31,33)
InChIKeyFDNJUXLMFOXEGZ-UHFFFAOYSA-N
XLogP6.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 137473291
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-(2-methyl-5-phenylmethoxyphenyl)-1-prop-2-enoylazetidine-3-carboxamide
CID 166420523
2-(4-ethoxyphenyl)-1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 110411560
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
3-[[1-[5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56838868
8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline
CID 137382694

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide?
The IUPAC name of N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide (CID 170089296) is N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide is Cc1cc(F)c(N2CCC(COc3ccc(C)c(NC(=O)Cc4ccccc4)c3)CC2)c(F)c1.
What is the InChIKey of N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide?
The InChIKey is FDNJUXLMFOXEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O2/c1-19-14-24(29)28(25(30)15-19)32-12-10-22(11-13-32)18-34-23-9-8-20(2)26(17-23)31-27(33)16-21-6-4-3-5-7-21/h3-9,14-15,17,22H,10-13,16,18H2,1-2H3,(H,31,33).
What are the key properties of N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide?
N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide has a molecular weight of 464.56 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 170089296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).