3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C22H35N5O4 — CID 55441904

IUPAC3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H35N5O4/c28-18(7-6-12-27-20(30)22(23-21(27)31)8-2-3-9-22)26-15-13-24(14-16-26)17-19(29)25-10-4-1-5-11-25/h1-17H2,(H,23,31)
InChIKeyDHBGYDZPJOUQIB-UHFFFAOYSA-N
MW433.55 g/mol
LogP0.79
Rot. Bonds6

About 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 55441904) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID55441904
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC Name3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H35N5O4/c28-18(7-6-12-27-20(30)22(23-21(27)31)8-2-3-9-22)26-15-13-24(14-16-26)17-19(29)25-10-4-1-5-11-25/h1-17H2,(H,23,31)
InChIKeyDHBGYDZPJOUQIB-UHFFFAOYSA-N
XLogP0.79
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 24585854
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429011
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17430801
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
3-[4-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31940152
3-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97201760
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3'-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 55463922

Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 55441904) is 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is DHBGYDZPJOUQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4/c28-18(7-6-12-27-20(30)22(23-21(27)31)8-2-3-9-22)26-15-13-24(14-16-26)17-19(29)25-10-4-1-5-11-25/h1-17H2,(H,23,31).
What are the key properties of 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 433.55 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 55441904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).