(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone

C30H36N4O2 — CID 45165567

IUPAC(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCOc1cccc2ccc(CN3CCC4(CC3)CC4C(=O)N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C30H36N4O2/c1-36-27-9-5-8-24-10-11-25(31-28(24)27)22-32-14-12-30(13-15-32)20-26(30)29(35)34-18-16-33(17-19-34)21-23-6-3-2-4-7-23/h2-11,26H,12-22H2,1H3
InChIKeyGUDNFFQTBXDGOD-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.19
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone

(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone (PubChem CID 45165567) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
PubChem CID45165567
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC Name(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCOc1cccc2ccc(CN3CCC4(CC3)CC4C(=O)N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C30H36N4O2/c1-36-27-9-5-8-24-10-11-25(31-28(24)27)22-32-14-12-30(13-15-32)20-26(30)29(35)34-18-16-33(17-19-34)21-23-6-3-2-4-7-23/h2-11,26H,12-22H2,1H3
InChIKeyGUDNFFQTBXDGOD-UHFFFAOYSA-N
XLogP4.19
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[6-[(2,4,5-trimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
CID 45174378
[(2S)-6-benzoyl-6-azaspiro[2.5]octan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 125162163
1-[2-(4-benzylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-3-phenylpropan-1-one
CID 126466867
9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72852084
[6-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 126464966
[(2R)-6-[(2-chloro-4,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 26360879
[6-[(4-methoxy-3-methylphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45179643
[6-[(4-methylphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45189479
2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 51635293
(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122563198
5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 77096181
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone (CID 45165567) is (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone is COc1cccc2ccc(CN3CCC4(CC3)CC4C(=O)N3CCN(Cc4ccccc4)CC3)nc12.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
The InChIKey is GUDNFFQTBXDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-36-27-9-5-8-24-10-11-25(31-28(24)27)22-32-14-12-30(13-15-32)20-26(30)29(35)34-18-16-33(17-19-34)21-23-6-3-2-4-7-23/h2-11,26H,12-22H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone has a molecular weight of 484.64 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone is sourced from PubChem (CID 45165567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).