8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

C22H32N4O2 — CID 12840733

IUPAC8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H32N4O2/c27-20-17-22(8-2-3-9-22)18-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-7-1-4-10-23-19/h1,4,7,10H,2-3,5-6,8-9,11-18H2
InChIKeyQEGKYGJYCBVGHB-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.69
Rot. Bonds6

About 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 12840733) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID12840733
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H32N4O2/c27-20-17-22(8-2-3-9-22)18-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-7-1-4-10-23-19/h1,4,7,10H,2-3,5-6,8-9,11-18H2
InChIKeyQEGKYGJYCBVGHB-UHFFFAOYSA-N
XLogP2.69
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione with MolForge

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Related Compounds

N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 71455083
3-Phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2887947
N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}cyclohexanecarboxamide
CID 9550400
1,8,8-Trimethyl-3-{4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3-azabicyclo[3.2.1]octane-2,4-dione
CID 2772320
Adamantanyl 4-(2-pyridyl)piperazinyl ketone
CID 2861965
2-[4-[4-(7,9-Dioxo-8-azaspiro[4.5]decan-8-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 12790503
3-{4-[4-(3-Methyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-1-thia-3-aza-spiro[4.4]nonane-2,4-dione
CID 13771020
1-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13771024
8-{4-[4-(3-Methyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 13771030
3-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-1-thia-3-aza-spiro[4.4]nonane-2,4-dione
CID 14183680
4,4-Dimethyl-1-{4-[4-(3-phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-piperidine-2,6-dione
CID 14183683
N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 23290944

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 12840733) is 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is QEGKYGJYCBVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-20-17-22(8-2-3-9-22)18-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-7-1-4-10-23-19/h1,4,7,10H,2-3,5-6,8-9,11-18H2.
What are the key properties of 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 384.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 12840733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).