3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H30N4O3 — CID 110075843

IUPAC3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccccc1)N1CCCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1
InChIInChI=1S/C26H30N4O3/c31-23(21-10-5-2-6-11-21)29-15-7-12-22(19-29)30-24(32)26(27-25(30)33)13-16-28(17-14-26)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,27,33)
InChIKeyIONVZXCBZQIJIH-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.88
Rot. Bonds4

About 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110075843) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110075843
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccccc1)N1CCCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1
InChIInChI=1S/C26H30N4O3/c31-23(21-10-5-2-6-11-21)29-15-7-12-22(19-29)30-24(32)26(27-25(30)33)13-16-28(17-14-26)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,27,33)
InChIKeyIONVZXCBZQIJIH-UHFFFAOYSA-N
XLogP2.88
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 129360807
N-[2-[3-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 110084309
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084297
8-benzoyl-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620621
3-(1-benzoylpiperidin-3-yl)-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247352
8-propyl-3-[1-(pyridine-4-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084359
8-benzoyl-3-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 126417098
8-benzoyl-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620623
8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084314
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797
8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084151
3-(1-benzoylpiperidin-4-yl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084226

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110075843) is 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(c1ccccc1)N1CCCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1.
What is the InChIKey of 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IONVZXCBZQIJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-23(21-10-5-2-6-11-21)29-15-7-12-22(19-29)30-24(32)26(27-25(30)33)13-16-28(17-14-26)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,27,33).
What are the key properties of 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 446.55 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110075843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).