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

C21H27N3O3 — CID 136526629

IUPAC3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(c1ccccc1)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C21H27N3O3/c25-18(16-6-2-1-3-7-16)17-8-12-23(13-9-17)14-15-24-19(26)21(22-20(24)27)10-4-5-11-21/h1-3,6-7,17H,4-5,8-15H2,(H,22,27)
InChIKeyDFEKRQAXVDDDGP-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.45
Rot. Bonds5

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

3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 136526629) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID136526629
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(c1ccccc1)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C21H27N3O3/c25-18(16-6-2-1-3-7-16)17-8-12-23(13-9-17)14-15-24-19(26)21(22-20(24)27)10-4-5-11-21/h1-3,6-7,17H,4-5,8-15H2,(H,22,27)
InChIKeyDFEKRQAXVDDDGP-UHFFFAOYSA-N
XLogP2.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.45
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)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18145950
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71930590
3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4792556
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperidine-4-carboxamide
CID 2516681
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
CID 56807214
3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride
CID 19075037

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 136526629) is 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(c1ccccc1)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1.
What is the InChIKey of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is DFEKRQAXVDDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-18(16-6-2-1-3-7-16)17-8-12-23(13-9-17)14-15-24-19(26)21(22-20(24)27)10-4-5-11-21/h1-3,6-7,17H,4-5,8-15H2,(H,22,27).
What are the key properties of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 369.47 g/mol, XLogP of 2.45, 5 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)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 136526629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).