(4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone

C26H39N3O — CID 25118476

IUPAC(4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESO=C(C1CC12CCN(CCc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H39N3O/c30-25(29-19-17-28(18-20-29)23-9-5-2-6-10-23)24-21-26(24)12-15-27(16-13-26)14-11-22-7-3-1-4-8-22/h1,3-4,7-8,23-24H,2,5-6,9-21H2
InChIKeyJNBBGRYENGIBBN-UHFFFAOYSA-N
MW409.62 g/mol
LogP3.81
Rot. Bonds5

About (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone (PubChem CID 25118476) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone
PubChem CID25118476
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESO=C(C1CC12CCN(CCc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H39N3O/c30-25(29-19-17-28(18-20-29)23-9-5-2-6-10-23)24-21-26(24)12-15-27(16-13-26)14-11-22-7-3-1-4-8-22/h1,3-4,7-8,23-24H,2,5-6,9-21H2
InChIKeyJNBBGRYENGIBBN-UHFFFAOYSA-N
XLogP3.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-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

1-Cyclohexyl-4-(4-phenylbutanoyl)piperazine
CID 2970858
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 44522207
6,6-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
CID 9890105
((S)-2-((1R,2R)-2-phenylcyclopropanecarbonyl)-2-azabicyclo[2.2.2]octan-3-yl)(pyrrolidin-1-yl)methanone
CID 10594169
4-Phenyl-1-[(R)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-butan-1-one
CID 10736870
(6-Benzyl-6-aza-spiro[2.5]oct-1-yl)-(4-cyclohexyl-piperazin-1-yl)-methanone
CID 25118831
(2-Benzyl-cyclopropyl)-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-methanone
CID 44316574
1-(3-Cyclohexen-1-ylmethyl)-4-(phenylacetyl)piperazine
CID 2881340
8-[2-(4-Phenylpiperidin-1-YL)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11348796
2-(4-Cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 14810983
((1R,2R)-2-Benzyl-cyclopropyl)-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-methanone
CID 44316593

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone (CID 25118476) is (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone is O=C(C1CC12CCN(CCc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone?
The InChIKey is JNBBGRYENGIBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c30-25(29-19-17-28(18-20-29)23-9-5-2-6-10-23)24-21-26(24)12-15-27(16-13-26)14-11-22-7-3-1-4-8-22/h1,3-4,7-8,23-24H,2,5-6,9-21H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone has a molecular weight of 409.62 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]methanone is sourced from PubChem (CID 25118476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).