N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide

C21H32N2O3 — CID 108560021

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3/c1-15-6-7-18(16(2)12-15)26-14-19(24)22-17-8-10-23(11-9-17)20(25)13-21(3,4)5/h6-7,12,17H,8-11,13-14H2,1-5H3,(H,22,24)
InChIKeyJLWAZFILBQPCLF-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.23
Rot. Bonds5

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 108560021) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID108560021
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3/c1-15-6-7-18(16(2)12-15)26-14-19(24)22-17-8-10-23(11-9-17)20(25)13-21(3,4)5/h6-7,12,17H,8-11,13-14H2,1-5H3,(H,22,24)
InChIKeyJLWAZFILBQPCLF-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564984
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide (CID 108560021) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c(C)c1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is JLWAZFILBQPCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-15-6-7-18(16(2)12-15)26-14-19(24)22-17-8-10-23(11-9-17)20(25)13-21(3,4)5/h6-7,12,17H,8-11,13-14H2,1-5H3,(H,22,24).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108560021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).