4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide

C26H34N2O4 — CID 108553492

IUPAC4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)CCCOc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C26H34N2O4/c1-19-6-4-7-20(2)26(19)32-17-5-8-24(29)27-22-13-15-28(16-14-22)25(30)18-21-9-11-23(31-3)12-10-21/h4,6-7,9-12,22H,5,8,13-18H2,1-3H3,(H,27,29)
InChIKeyVOJVFRFWZKRTIP-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.82
Rot. Bonds9

About 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide

4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide (PubChem CID 108553492) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
PubChem CID108553492
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)CCCOc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C26H34N2O4/c1-19-6-4-7-20(2)26(19)32-17-5-8-24(29)27-22-13-15-28(16-14-22)25(30)18-21-9-11-23(31-3)12-10-21/h4,6-7,9-12,22H,5,8,13-18H2,1-3H3,(H,27,29)
InChIKeyVOJVFRFWZKRTIP-UHFFFAOYSA-N
XLogP3.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108561132
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
2-methylpropyl 4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561128
[3-[4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108927434
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108553531
3-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108565372
2,2-dichloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 108565365
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-4-(2,6-dimethylphenoxy)butan-1-one
CID 108569040
methyl 4-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 110822777

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide (CID 108553492) is 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide is COc1ccc(CC(=O)N2CCC(NC(=O)CCCOc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
The InChIKey is VOJVFRFWZKRTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-19-6-4-7-20(2)26(19)32-17-5-8-24(29)27-22-13-15-28(16-14-22)25(30)18-21-9-11-23(31-3)12-10-21/h4,6-7,9-12,22H,5,8,13-18H2,1-3H3,(H,27,29).
What are the key properties of 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide has a molecular weight of 438.57 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108553492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).