2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone

C16H18ClNO2 — CID 121186881

IUPAC2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C16H18ClNO2/c17-14-3-5-15(6-4-14)20-11-16(19)18-9-7-13(8-10-18)12-1-2-12/h3-6H,1-2,7-11H2
InChIKeyFDKHEOGBLGOMFW-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone

2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone (PubChem CID 121186881) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
PubChem CID121186881
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C16H18ClNO2/c17-14-3-5-15(6-4-14)20-11-16(19)18-9-7-13(8-10-18)12-1-2-12/h3-6H,1-2,7-11H2
InChIKeyFDKHEOGBLGOMFW-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone 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

1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547312
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
2-(4-chlorophenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782661
2-(4-chlorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308354
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
2-(4-chlorophenoxy)-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]ethanone
CID 108534860
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154693
2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone (CID 121186881) is 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
The InChIKey is FDKHEOGBLGOMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-14-3-5-15(6-4-14)20-11-16(19)18-9-7-13(8-10-18)12-1-2-12/h3-6H,1-2,7-11H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone has a molecular weight of 291.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 121186881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).