4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide

C19H28N2O4 — CID 119443099

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C19H28N2O4/c1-14(22)15-6-7-17(18(13-15)24-3)25-12-4-5-19(23)21(2)16-8-10-20-11-9-16/h6-7,13,16,20H,4-5,8-12H2,1-3H3
InChIKeyISKUAJXAOHBAPB-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.27
Rot. Bonds8

About 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide

4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide (PubChem CID 119443099) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
PubChem CID119443099
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C19H28N2O4/c1-14(22)15-6-7-17(18(13-15)24-3)25-12-4-5-19(23)21(2)16-8-10-20-11-9-16/h6-7,13,16,20H,4-5,8-12H2,1-3H3
InChIKeyISKUAJXAOHBAPB-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide 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

4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443722
4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388425
4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553580
1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
2-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119199926
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
3-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119227817
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide (CID 119443099) is 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)N(C)C1CCNCC1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide?
The InChIKey is ISKUAJXAOHBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(22)15-6-7-17(18(13-15)24-3)25-12-4-5-19(23)21(2)16-8-10-20-11-9-16/h6-7,13,16,20H,4-5,8-12H2,1-3H3.
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide has a molecular weight of 348.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 119443099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).