N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide

C19H27ClN2O4 — CID 108562203

IUPACN-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCN(C(=O)CCCCl)CC2)cc1
InChIInChI=1S/C19H27ClN2O4/c1-2-25-16-5-7-17(8-6-16)26-14-18(23)21-15-9-12-22(13-10-15)19(24)4-3-11-20/h5-8,15H,2-4,9-14H2,1H3,(H,21,23)
InChIKeyRMJHAPAYPFDGQX-UHFFFAOYSA-N
MW382.89 g/mol
LogP2.59
Rot. Bonds9

About N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide

N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 108562203) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID108562203
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCN(C(=O)CCCCl)CC2)cc1
InChIInChI=1S/C19H27ClN2O4/c1-2-25-16-5-7-17(8-6-16)26-14-18(23)21-15-9-12-22(13-10-15)19(24)4-3-11-20/h5-8,15H,2-4,9-14H2,1H3,(H,21,23)
InChIKeyRMJHAPAYPFDGQX-UHFFFAOYSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)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-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355
2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108561337

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide (CID 108562203) is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)NC2CCN(C(=O)CCCCl)CC2)cc1.
What is the InChIKey of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is RMJHAPAYPFDGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c1-2-25-16-5-7-17(8-6-16)26-14-18(23)21-15-9-12-22(13-10-15)19(24)4-3-11-20/h5-8,15H,2-4,9-14H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide?
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 382.89 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 108562203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).