N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide

C25H32N2O4 — CID 108553275

IUPACN-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-17-5-9-22(10-6-17)30-16-24(29)27-13-11-21(12-14-27)26-23(28)15-31-25-19(3)8-7-18(2)20(25)4/h5-10,21H,11-16H2,1-4H3,(H,26,28)
InChIKeyYTAMMHBRCGAOSP-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.49
Rot. Bonds7

About N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide

N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 108553275) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID108553275
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-17-5-9-22(10-6-17)30-16-24(29)27-13-11-21(12-14-27)26-23(28)15-31-25-19(3)8-7-18(2)20(25)4/h5-10,21H,11-16H2,1-4H3,(H,26,28)
InChIKeyYTAMMHBRCGAOSP-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553238
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496
2-(4-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553233
phenyl 4-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560995
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108558559

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 108553275) is N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is YTAMMHBRCGAOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17-5-9-22(10-6-17)30-16-24(29)27-13-11-21(12-14-27)26-23(28)15-31-25-19(3)8-7-18(2)20(25)4/h5-10,21H,11-16H2,1-4H3,(H,26,28).
What are the key properties of N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 424.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 108553275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).