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

C25H32N2O3 — CID 108560903

IUPAC2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1C
InChIInChI=1S/C25H32N2O3/c1-17(2)20-6-8-21(9-7-20)25(29)27-13-11-22(12-14-27)26-24(28)16-30-23-10-5-18(3)19(4)15-23/h5-10,15,17,22H,11-14,16H2,1-4H3,(H,26,28)
InChIKeyBKMFWRBTGXLYMH-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.23
Rot. Bonds6

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

2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 108560903) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
PubChem CID108560903
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1C
InChIInChI=1S/C25H32N2O3/c1-17(2)20-6-8-21(9-7-20)25(29)27-13-11-22(12-14-27)26-24(28)16-30-23-10-5-18(3)19(4)15-23/h5-10,15,17,22H,11-14,16H2,1-4H3,(H,26,28)
InChIKeyBKMFWRBTGXLYMH-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108552732
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51130240
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide (CID 108560903) is 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is BKMFWRBTGXLYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17(2)20-6-8-21(9-7-20)25(29)27-13-11-22(12-14-27)26-24(28)16-30-23-10-5-18(3)19(4)15-23/h5-10,15,17,22H,11-14,16H2,1-4H3,(H,26,28).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108560903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).