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

C26H34N2O4 — CID 108553731

IUPACN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)CCCOc3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C26H34N2O4/c1-19-10-11-24(21(3)17-19)32-18-26(30)28-14-12-22(13-15-28)27-25(29)9-6-16-31-23-8-5-4-7-20(23)2/h4-5,7-8,10-11,17,22H,6,9,12-16,18H2,1-3H3,(H,27,29)
InChIKeyASPXINSWAQJYNL-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.96
Rot. Bonds9

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

N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide (PubChem CID 108553731) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
PubChem CID108553731
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)CCCOc3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C26H34N2O4/c1-19-10-11-24(21(3)17-19)32-18-26(30)28-14-12-22(13-15-28)27-25(29)9-6-16-31-23-8-5-4-7-20(23)2/h4-5,7-8,10-11,17,22H,6,9,12-16,18H2,1-3H3,(H,27,29)
InChIKeyASPXINSWAQJYNL-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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

4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564276
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide (CID 108553731) is N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)CCCOc3ccccc3C)CC2)c(C)c1.
What is the InChIKey of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The InChIKey is ASPXINSWAQJYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-19-10-11-24(21(3)17-19)32-18-26(30)28-14-12-22(13-15-28)27-25(29)9-6-16-31-23-8-5-4-7-20(23)2/h4-5,7-8,10-11,17,22H,6,9,12-16,18H2,1-3H3,(H,27,29).
What are the key properties of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide has a molecular weight of 438.57 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 108553731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).