1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone

C20H20ClNO3 — CID 110394316

IUPAC1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H20ClNO3/c21-17-8-6-15(7-9-17)20(24)16-10-12-22(13-11-16)19(23)14-25-18-4-2-1-3-5-18/h1-9,16H,10-14H2
InChIKeyDKLZZOINBJWIDU-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.84
Rot. Bonds5

About 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone

1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110394316) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID110394316
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H20ClNO3/c21-17-8-6-15(7-9-17)20(24)16-10-12-22(13-11-16)19(23)14-25-18-4-2-1-3-5-18/h1-9,16H,10-14H2
InChIKeyDKLZZOINBJWIDU-UHFFFAOYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone 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

3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
CID 142868342
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361
2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone
CID 110643500
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 2740764
1-(4-benzoylpiperidin-1-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 26079809
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone (CID 110394316) is 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is DKLZZOINBJWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-17-8-6-15(7-9-17)20(24)16-10-12-22(13-11-16)19(23)14-25-18-4-2-1-3-5-18/h1-9,16H,10-14H2.
What are the key properties of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 357.84 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110394316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).