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

C25H37N3O — CID 25118831

IUPAC(6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(C1CC12CCN(Cc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H37N3O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-25(23)11-13-26(14-12-25)20-21-7-3-1-4-8-21/h1,3-4,7-8,22-23H,2,5-6,9-20H2
InChIKeyHWFUZUISXVWUKE-UHFFFAOYSA-N
MW395.59 g/mol
LogP3.77
Rot. Bonds4

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

(6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 25118831) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID25118831
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name(6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(C1CC12CCN(Cc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H37N3O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-25(23)11-13-26(14-12-25)20-21-7-3-1-4-8-21/h1,3-4,7-8,22-23H,2,5-6,9-20H2
InChIKeyHWFUZUISXVWUKE-UHFFFAOYSA-N
XLogP3.77
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone with MolForge

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Related Compounds

Praziquantel
CID 4891
Z-160
CID 4988454
Arpraziquantel
CID 445900
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
2,8-Dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
CID 1043268
Praziquantel, (S)-
CID 1917817
Piperidine Derivative, 5j
CID 24776395
Piperidine Derivative, 5m
CID 24776398
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
(4-Cyclohexyl-piperazin-1-yl)-(6-phenethyl-6-aza-spiro[2.5]oct-1-yl)-methanone
CID 25118476
N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide
CID 137371461
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide
CID 156782597

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone (CID 25118831) is (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone is O=C(C1CC12CCN(Cc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is HWFUZUISXVWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-25(23)11-13-26(14-12-25)20-21-7-3-1-4-8-21/h1,3-4,7-8,22-23H,2,5-6,9-20H2.
What are the key properties of (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone?
(6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 395.59 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzyl-6-azaspiro[2.5]octan-2-yl)-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 25118831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).