cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone

C18H26N2O2 — CID 110410080

IUPACcyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCc1ccccc1OCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H26N2O2/c1-15-5-2-3-8-17(15)22-14-13-19-9-11-20(12-10-19)18(21)16-6-4-7-16/h2-3,5,8,16H,4,6-7,9-14H2,1H3
InChIKeyMFGWETSAIMTKRG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds5

About cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 110410080) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID110410080
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCc1ccccc1OCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H26N2O2/c1-15-5-2-3-8-17(15)22-14-13-19-9-11-20(12-10-19)18(21)16-6-4-7-16/h2-3,5,8,16H,4,6-7,9-14H2,1H3
InChIKeyMFGWETSAIMTKRG-UHFFFAOYSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide
CID 86944948
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
CID 126856072
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
tert-butyl 4-[4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 55490967
[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 97437195
(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839310
1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110638250
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone (CID 110410080) is cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone is Cc1ccccc1OCCN1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is MFGWETSAIMTKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15-5-2-3-8-17(15)22-14-13-19-9-11-20(12-10-19)18(21)16-6-4-7-16/h2-3,5,8,16H,4,6-7,9-14H2,1H3.
What are the key properties of cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110410080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).