2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide

C18H26N2O3 — CID 56813577

IUPAC2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide
SMILESCc1cccc(OCCCC(=O)N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-14-4-2-5-16(12-14)23-11-3-6-18(22)20-9-7-15(8-10-20)13-17(19)21/h2,4-5,12,15H,3,6-11,13H2,1H3,(H2,19,21)
InChIKeyRGAXQMJLWIRJPC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.27
Rot. Bonds7

About 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide

2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide (PubChem CID 56813577) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide
PubChem CID56813577
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide
SMILESCc1cccc(OCCCC(=O)N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-14-4-2-5-16(12-14)23-11-3-6-18(22)20-9-7-15(8-10-20)13-17(19)21/h2,4-5,12,15H,3,6-11,13H2,1H3,(H2,19,21)
InChIKeyRGAXQMJLWIRJPC-UHFFFAOYSA-N
XLogP2.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 120819975
4-(3-acetylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119647391
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(3-methylphenoxy)butan-1-one
CID 112791503
1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 79867710
1-[4-(3-methylphenoxy)butanoyl]-1,4-diazepan-5-one
CID 62046956
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one
CID 18280286
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide (CID 56813577) is 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide is Cc1cccc(OCCCC(=O)N2CCC(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide?
The InChIKey is RGAXQMJLWIRJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-4-2-5-16(12-14)23-11-3-6-18(22)20-9-7-15(8-10-20)13-17(19)21/h2,4-5,12,15H,3,6-11,13H2,1H3,(H2,19,21).
What are the key properties of 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide?
2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56813577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).