8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H30N4O3 — CID 129360807

IUPAC8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3ccccc3)C1)C2=O
InChIInChI=1S/C26H30N4O3/c31-23(21-10-5-2-6-11-21)29-16-13-26(14-17-29)24(32)30(25(33)27-26)22-12-7-15-28(19-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,27,33)/t22-/m1/s1
InChIKeyWPBHDOYBMSLLAL-JOCHJYFZSA-N
MW446.55 g/mol
LogP2.88
Rot. Bonds4

About 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 129360807) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID129360807
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3ccccc3)C1)C2=O
InChIInChI=1S/C26H30N4O3/c31-23(21-10-5-2-6-11-21)29-16-13-26(14-17-29)24(32)30(25(33)27-26)22-12-7-15-28(19-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,27,33)/t22-/m1/s1
InChIKeyWPBHDOYBMSLLAL-JOCHJYFZSA-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'}

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Related Compounds

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-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
8-benzoyl-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620623
8-benzoyl-3-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 126417098
3-(1-benzoylpiperidin-3-yl)-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247352
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-benzoyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620524
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084297
3-(1-benzoylpiperidin-4-yl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084226
3-[(3S)-1-ethylpiperidin-3-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620696
8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084280
8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084283

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 129360807) is 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3ccccc3)C1)C2=O.
What is the InChIKey of 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WPBHDOYBMSLLAL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-23(21-10-5-2-6-11-21)29-16-13-26(14-17-29)24(32)30(25(33)27-26)22-12-7-15-28(19-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,27,33)/t22-/m1/s1.
What are the key properties of 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-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 8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 129360807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).