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

C27H34N2O4 — CID 108553238

IUPACN-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1
InChIInChI=1S/C27H34N2O4/c1-18-5-9-22(10-6-18)24(30)11-12-26(32)29-15-13-23(14-16-29)28-25(31)17-33-27-20(3)8-7-19(2)21(27)4/h5-10,23H,11-17H2,1-4H3,(H,28,31)
InChIKeyLNTPWISBTVXACT-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.07
Rot. Bonds8

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

N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 108553238) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID108553238
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC NameN-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1
InChIInChI=1S/C27H34N2O4/c1-18-5-9-22(10-6-18)24(30)11-12-26(32)29-15-13-23(14-16-29)28-25(31)17-33-27-20(3)8-7-19(2)21(27)4/h5-10,23H,11-17H2,1-4H3,(H,28,31)
InChIKeyLNTPWISBTVXACT-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide with MolForge

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Related Compounds

N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553233
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553287
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108558559
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553254
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-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 108553238) is N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is LNTPWISBTVXACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-18-5-9-22(10-6-18)24(30)11-12-26(32)29-15-13-23(14-16-29)28-25(31)17-33-27-20(3)8-7-19(2)21(27)4/h5-10,23H,11-17H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 450.58 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 108553238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).