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

C24H30N2O3 — CID 108553233

IUPACN-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C24H30N2O3/c1-17-9-10-18(2)24(19(17)3)29-16-22(27)25-21-11-13-26(14-12-21)23(28)15-20-7-5-4-6-8-20/h4-10,21H,11-16H2,1-3H3,(H,25,27)
InChIKeyFLXLJTGUNWSFKN-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.34
Rot. Bonds6

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

N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 108553233) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID108553233
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C24H30N2O3/c1-17-9-10-18(2)24(19(17)3)29-16-22(27)25-21-11-13-26(14-12-21)23(28)15-20-7-5-4-6-8-20/h4-10,21H,11-16H2,1-3H3,(H,25,27)
InChIKeyFLXLJTGUNWSFKN-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560995
2-(4-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553238
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553287
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553254
4-oxo-N-[1-(2-phenylacetyl)piperidin-4-yl]pentanamide
CID 108558031

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 108553233) is N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)c1C.
What is the InChIKey of N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is FLXLJTGUNWSFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-9-10-18(2)24(19(17)3)29-16-22(27)25-21-11-13-26(14-12-21)23(28)15-20-7-5-4-6-8-20/h4-10,21H,11-16H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 108553233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).