N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide

C26H34N2O3 — CID 108553531

IUPACN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)CCCOc3c(C)cccc3C)CC2)cc1C
InChIInChI=1S/C26H34N2O3/c1-18-10-11-22(17-21(18)4)26(30)28-14-12-23(13-15-28)27-24(29)9-6-16-31-25-19(2)7-5-8-20(25)3/h5,7-8,10-11,17,23H,6,9,12-16H2,1-4H3,(H,27,29)
InChIKeyVMHQPNWFJDYYNZ-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.50
Rot. Bonds7

About N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide

N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide (PubChem CID 108553531) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
PubChem CID108553531
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)CCCOc3c(C)cccc3C)CC2)cc1C
InChIInChI=1S/C26H34N2O3/c1-18-10-11-22(17-21(18)4)26(30)28-14-12-23(13-15-28)27-24(29)9-6-16-31-25-19(2)7-5-8-20(25)3/h5,7-8,10-11,17,23H,6,9,12-16H2,1-4H3,(H,27,29)
InChIKeyVMHQPNWFJDYYNZ-UHFFFAOYSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108927434
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108561132
2-methylpropyl 4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561128
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 108553492
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
3-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108565372

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
The IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide (CID 108553531) is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
The canonical SMILES for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide is Cc1ccc(C(=O)N2CCC(NC(=O)CCCOc3c(C)cccc3C)CC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
The InChIKey is VMHQPNWFJDYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-18-10-11-22(17-21(18)4)26(30)28-14-12-23(13-15-28)27-24(29)9-6-16-31-25-19(2)7-5-8-20(25)3/h5,7-8,10-11,17,23H,6,9,12-16H2,1-4H3,(H,27,29).
What are the key properties of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide has a molecular weight of 422.57 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide is sourced from PubChem (CID 108553531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).