3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C21H25N3O4 — CID 18145950

IUPAC3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C21H25N3O4/c25-17(14-24-19(27)21(22-20(24)28)10-4-5-11-21)23-12-8-16(9-13-23)18(26)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,28)
InChIKeyAWSYSJOPJNSHJC-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.97
Rot. Bonds4

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

3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 18145950) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID18145950
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C21H25N3O4/c25-17(14-24-19(27)21(22-20(24)28)10-4-5-11-21)23-12-8-16(9-13-23)18(26)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,28)
InChIKeyAWSYSJOPJNSHJC-UHFFFAOYSA-N
XLogP1.97
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.97
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

3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136526629
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17430801
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119373441
methyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 7609865
(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51930342
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
N-benzyl-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 33100935
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4876009
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 18145950) is 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(c1ccccc1)C1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1.
What is the InChIKey of 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is AWSYSJOPJNSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-17(14-24-19(27)21(22-20(24)28)10-4-5-11-21)23-12-8-16(9-13-23)18(26)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,28).
What are the key properties of 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 383.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 18145950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).