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

C25H36N4O2 — CID 110084251

IUPAC3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H36N4O2/c30-23-25(13-18-27(19-14-25)15-10-20-6-2-1-3-7-20)26-24(31)29(23)22-11-16-28(17-12-22)21-8-4-5-9-21/h1-3,6-7,21-22H,4-5,8-19H2,(H,26,31)
InChIKeyHIBPRPHXSNSUTE-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.02
Rot. Bonds5

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

3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084251) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084251
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H36N4O2/c30-23-25(13-18-27(19-14-25)15-10-20-6-2-1-3-7-20)26-24(31)29(23)22-11-16-28(17-12-22)21-8-4-5-9-21/h1-3,6-7,21-22H,4-5,8-19H2,(H,26,31)
InChIKeyHIBPRPHXSNSUTE-UHFFFAOYSA-N
XLogP3.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-1-ethylpiperidin-3-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620696
3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084271
3-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084272
3-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084269
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-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
8-(2-hydroxyethyl)-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148600
(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
CID 92631748
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026
8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 129360807

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084251) is 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HIBPRPHXSNSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c30-23-25(13-18-27(19-14-25)15-10-20-6-2-1-3-7-20)26-24(31)29(23)22-11-16-28(17-12-22)21-8-4-5-9-21/h1-3,6-7,21-22H,4-5,8-19H2,(H,26,31).
What are the key properties of 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 424.59 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).