cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C21H31N3O2 — CID 24719059

IUPACcyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)C3CCC3)C2)CC1
InChIInChI=1S/C21H31N3O2/c1-26-20-10-3-2-9-19(20)23-14-12-22(13-15-23)18-8-5-11-24(16-18)21(25)17-6-4-7-17/h2-3,9-10,17-18H,4-8,11-16H2,1H3
InChIKeyQBPAZJLCMADGJH-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.61
Rot. Bonds4

About cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24719059) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24719059
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Namecyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)C3CCC3)C2)CC1
InChIInChI=1S/C21H31N3O2/c1-26-20-10-3-2-9-19(20)23-14-12-22(13-15-23)18-8-5-11-24(16-18)21(25)17-6-4-7-17/h2-3,9-10,17-18H,4-8,11-16H2,1H3
InChIKeyQBPAZJLCMADGJH-UHFFFAOYSA-N
XLogP2.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-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

cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 42532617
1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 42519173
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 45249744
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24719059) is cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1ccccc1N1CCN(C2CCCN(C(=O)C3CCC3)C2)CC1.
What is the InChIKey of cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is QBPAZJLCMADGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-26-20-10-3-2-9-19(20)23-14-12-22(13-15-23)18-8-5-11-24(16-18)21(25)17-6-4-7-17/h2-3,9-10,17-18H,4-8,11-16H2,1H3.
What are the key properties of cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24719059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).