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

C18H23N5O3 — CID 17406006

IUPAC2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H23N5O3/c24-14-12-18(4-1-2-5-18)16(26)23(14)13-15(25)21-8-10-22(11-9-21)17-19-6-3-7-20-17/h3,6-7H,1-2,4-5,8-13H2
InChIKeyGBLHVNHDHDATGO-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.44
Rot. Bonds3

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

2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 17406006) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID17406006
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H23N5O3/c24-14-12-18(4-1-2-5-18)16(26)23(14)13-15(25)21-8-10-22(11-9-21)17-19-6-3-7-20-17/h3,6-7H,1-2,4-5,8-13H2
InChIKeyGBLHVNHDHDATGO-UHFFFAOYSA-N
XLogP0.44
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17406638
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
(5R)-3'-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 26011393
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 111331567
(1R,2R,6S,7R)-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23376360
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572254
(5S)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572251
2-morpholin-4-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 91833632

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 17406006) is 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is GBLHVNHDHDATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-14-12-18(4-1-2-5-18)16(26)23(14)13-15(25)21-8-10-22(11-9-21)17-19-6-3-7-20-17/h3,6-7H,1-2,4-5,8-13H2.
What are the key properties of 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 357.41 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 17406006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).