3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H22N6O3 — CID 8007505

IUPAC3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H22N6O3/c24-13(12-23-14(25)17(20-16(23)26)4-1-2-5-17)21-8-10-22(11-9-21)15-18-6-3-7-19-15/h3,6-7H,1-2,4-5,8-12H2,(H,20,26)
InChIKeyCKXIYBSGIDZWLE-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.01
Rot. Bonds3

About 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 8007505) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID8007505
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H22N6O3/c24-13(12-23-14(25)17(20-16(23)26)4-1-2-5-17)21-8-10-22(11-9-21)15-18-6-3-7-19-15/h3,6-7H,1-2,4-5,8-12H2,(H,20,26)
InChIKeyCKXIYBSGIDZWLE-UHFFFAOYSA-N
XLogP-0.01
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 8007505) is 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is CKXIYBSGIDZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c24-13(12-23-14(25)17(20-16(23)26)4-1-2-5-17)21-8-10-22(11-9-21)15-18-6-3-7-19-15/h3,6-7H,1-2,4-5,8-12H2,(H,20,26).
What are the key properties of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 8007505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).