cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone

C22H24N2O3 — CID 17411575

IUPACcyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1COc1ccccc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(17-10-11-17)23-12-14-24(15-13-23)22(26)20-9-5-4-6-18(20)16-27-19-7-2-1-3-8-19/h1-9,17H,10-16H2
InChIKeyFUURBKBJGYATJF-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.96
Rot. Bonds5

About cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone

cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone (PubChem CID 17411575) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone
PubChem CID17411575
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Namecyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1COc1ccccc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(17-10-11-17)23-12-14-24(15-13-23)22(26)20-9-5-4-6-18(20)16-27-19-7-2-1-3-8-19/h1-9,17H,10-16H2
InChIKeyFUURBKBJGYATJF-UHFFFAOYSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone 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-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 111561150
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
N-[1-[2-(phenoxymethyl)benzoyl]piperidin-4-yl]benzamide
CID 18131786
4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
CID 119251922
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
6-[2-(phenoxymethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175545
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 26766046

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone (CID 17411575) is cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone is O=C(c1ccccc1COc1ccccc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is FUURBKBJGYATJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(17-10-11-17)23-12-14-24(15-13-23)22(26)20-9-5-4-6-18(20)16-27-19-7-2-1-3-8-19/h1-9,17H,10-16H2.
What are the key properties of cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 364.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17411575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).