1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone

C24H34N4O2 — CID 59333116

IUPAC1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC2(CC1)CC(C(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C24H34N4O2/c29-22(16-19-4-8-25-9-5-19)27-10-6-24(7-11-27)17-20(18-24)23(30)28-14-12-26(13-15-28)21-2-1-3-21/h4-5,8-9,20-21H,1-3,6-7,10-18H2
InChIKeyLLRLDWJFGXKKHD-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone

1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone (PubChem CID 59333116) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone
PubChem CID59333116
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC2(CC1)CC(C(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C24H34N4O2/c29-22(16-19-4-8-25-9-5-19)27-10-6-24(7-11-27)17-20(18-24)23(30)28-14-12-26(13-15-28)21-2-1-3-21/h4-5,8-9,20-21H,1-3,6-7,10-18H2
InChIKeyLLRLDWJFGXKKHD-UHFFFAOYSA-N
XLogP2.34
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone with MolForge

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Related Compounds

(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone
CID 91146127
2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90973714
N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 171675893
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 26400411
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
1-(4-cyclohexylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
CID 1247704
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone (CID 59333116) is 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCC2(CC1)CC(C(=O)N1CCN(C3CCC3)CC1)C2.
What is the InChIKey of 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone?
The InChIKey is LLRLDWJFGXKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c29-22(16-19-4-8-25-9-5-19)27-10-6-24(7-11-27)17-20(18-24)23(30)28-14-12-26(13-15-28)21-2-1-3-21/h4-5,8-9,20-21H,1-3,6-7,10-18H2.
What are the key properties of 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone?
1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone has a molecular weight of 410.56 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 59333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).