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

C23H26N6O3 — CID 110084283

IUPAC8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(c3ncccn3)CC1)C2=O
InChIInChI=1S/C23H26N6O3/c30-19(17-5-2-1-3-6-17)27-15-9-23(10-16-27)20(31)29(22(32)26-23)18-7-13-28(14-8-18)21-24-11-4-12-25-21/h1-6,11-12,18H,7-10,13-16H2,(H,26,32)
InChIKeyRGTWUYZPBCKEIU-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.67
Rot. Bonds3

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

8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084283) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084283
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(c3ncccn3)CC1)C2=O
InChIInChI=1S/C23H26N6O3/c30-19(17-5-2-1-3-6-17)27-15-9-23(10-16-27)20(31)29(22(32)26-23)18-7-13-28(14-8-18)21-24-11-4-12-25-21/h1-6,11-12,18H,7-10,13-16H2,(H,26,32)
InChIKeyRGTWUYZPBCKEIU-UHFFFAOYSA-N
XLogP1.67
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-benzoyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620524
8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084280
3-(1-benzoylpiperidin-4-yl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084226
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-(pyridin-4-ylmethyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620621
8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 129360807
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 127761312
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
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084159
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
8-benzyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084171

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084283) is 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(c3ncccn3)CC1)C2=O.
What is the InChIKey of 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RGTWUYZPBCKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c30-19(17-5-2-1-3-6-17)27-15-9-23(10-16-27)20(31)29(22(32)26-23)18-7-13-28(14-8-18)21-24-11-4-12-25-21/h1-6,11-12,18H,7-10,13-16H2,(H,26,32).
What are the key properties of 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 434.50 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).