(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone

C25H38N4O — CID 91146127

IUPAC(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1CC2(CCN(CCCc3ccncc3)CC2)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C25H38N4O/c30-24(29-17-15-28(16-18-29)23-4-1-5-23)22-19-25(20-22)8-13-27(14-9-25)12-2-3-21-6-10-26-11-7-21/h6-7,10-11,22-23H,1-5,8-9,12-20H2
InChIKeyAOWGBGORSJOEDQ-UHFFFAOYSA-N
MW410.61 g/mol
LogP3.20
Rot. Bonds6

About (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 91146127) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID91146127
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1CC2(CCN(CCCc3ccncc3)CC2)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C25H38N4O/c30-24(29-17-15-28(16-18-29)23-4-1-5-23)22-19-25(20-22)8-13-27(14-9-25)12-2-3-21-6-10-26-11-7-21/h6-7,10-11,22-23H,1-5,8-9,12-20H2
InChIKeyAOWGBGORSJOEDQ-UHFFFAOYSA-N
XLogP3.20
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Related Compounds

1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone
CID 59333116
2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90973714
morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
CID 97352804
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 161215347
2-(2-pyridin-4-ylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162078
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
(3-aminocyclohexyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 91660417
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone (CID 91146127) is (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone is O=C(C1CC2(CCN(CCCc3ccncc3)CC2)C1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is AOWGBGORSJOEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O/c30-24(29-17-15-28(16-18-29)23-4-1-5-23)22-19-25(20-22)8-13-27(14-9-25)12-2-3-21-6-10-26-11-7-21/h6-7,10-11,22-23H,1-5,8-9,12-20H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 410.61 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 91146127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).