3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H24N4O3 — CID 4792556

IUPAC3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(c1ccccc1)N1CCN(CN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C19H24N4O3/c24-16(15-6-2-1-3-7-15)22-12-10-21(11-13-22)14-23-17(25)19(20-18(23)26)8-4-5-9-19/h1-3,6-7H,4-5,8-14H2,(H,20,26)
InChIKeyDYVAAVWITJAXHY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.27
Rot. Bonds3

About 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 4792556) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID4792556
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(c1ccccc1)N1CCN(CN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C19H24N4O3/c24-16(15-6-2-1-3-7-15)22-12-10-21(11-13-22)14-23-17(25)19(20-18(23)26)8-4-5-9-19/h1-3,6-7H,4-5,8-14H2,(H,20,26)
InChIKeyDYVAAVWITJAXHY-UHFFFAOYSA-N
XLogP1.27
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
3-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18081564
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26937799
8-benzoyl-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278819
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136526629
3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18145950
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55484424
1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperidine-4-carboxamide
CID 2516681
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
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
3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24605316
3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2549443

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 4792556) is 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(c1ccccc1)N1CCN(CN2C(=O)NC3(CCCC3)C2=O)CC1.
What is the InChIKey of 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is DYVAAVWITJAXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-16(15-6-2-1-3-7-15)22-12-10-21(11-13-22)14-23-17(25)19(20-18(23)26)8-4-5-9-19/h1-3,6-7H,4-5,8-14H2,(H,20,26).
What are the key properties of 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 4792556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).