8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione

C20H29N5O2 — CID 4713258

IUPAC8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H29N5O2/c26-17-15-20(5-1-2-6-20)16-18(27)25(17)10-4-9-23-11-13-24(14-12-23)19-21-7-3-8-22-19/h3,7-8H,1-2,4-6,9-16H2
InChIKeyFENSOSOFZBLMNG-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.70
Rot. Bonds5

About 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione

8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 4713258) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID4713258
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H29N5O2/c26-17-15-20(5-1-2-6-20)16-18(27)25(17)10-4-9-23-11-13-24(14-12-23)19-21-7-3-8-22-19/h3,7-8H,1-2,4-6,9-16H2
InChIKeyFENSOSOFZBLMNG-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione (CID 4713258) is 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is FENSOSOFZBLMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-17-15-20(5-1-2-6-20)16-18(27)25(17)10-4-9-23-11-13-24(14-12-23)19-21-7-3-8-22-19/h3,7-8H,1-2,4-6,9-16H2.
What are the key properties of 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 371.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 4713258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).