2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone

C19H26ClNO2 — CID 110617224

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCCN(C(=O)C(c2ccc(Cl)cc2)C2CC2)C1
InChIInChI=1S/C19H26ClNO2/c1-2-23-13-14-4-3-11-21(12-14)19(22)18(15-5-6-15)16-7-9-17(20)10-8-16/h7-10,14-15,18H,2-6,11-13H2,1H3
InChIKeyVJEQRMGBVFMOEP-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone

2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 110617224) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
PubChem CID110617224
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCCN(C(=O)C(c2ccc(Cl)cc2)C2CC2)C1
InChIInChI=1S/C19H26ClNO2/c1-2-23-13-14-4-3-11-21(12-14)19(22)18(15-5-6-15)16-7-9-17(20)10-8-16/h7-10,14-15,18H,2-6,11-13H2,1H3
InChIKeyVJEQRMGBVFMOEP-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-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

3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110416521
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
2-cyclohexyl-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110633226
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
CID 110418641
2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793368
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110610280
1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone (CID 110617224) is 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone is CCOCC1CCCN(C(=O)C(c2ccc(Cl)cc2)C2CC2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is VJEQRMGBVFMOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO2/c1-2-23-13-14-4-3-11-21(12-14)19(22)18(15-5-6-15)16-7-9-17(20)10-8-16/h7-10,14-15,18H,2-6,11-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 335.88 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110617224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).