3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H41N3O3 — CID 23109373

IUPAC3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1N(CC2CCCCC2)C(=O)C2(CCN(CCCCCO)CC2)N1CCc1ccccc1
InChIInChI=1S/C27H41N3O3/c31-21-9-3-8-17-28-19-15-27(16-20-28)25(32)29(22-24-12-6-2-7-13-24)26(33)30(27)18-14-23-10-4-1-5-11-23/h1,4-5,10-11,24,31H,2-3,6-9,12-22H2
InChIKeyVDMAPWHALSKSIU-UHFFFAOYSA-N
MW455.64 g/mol
LogP4.07
Rot. Bonds10

About 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 23109373) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID23109373
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1N(CC2CCCCC2)C(=O)C2(CCN(CCCCCO)CC2)N1CCc1ccccc1
InChIInChI=1S/C27H41N3O3/c31-21-9-3-8-17-28-19-15-27(16-20-28)25(32)29(22-24-12-6-2-7-13-24)26(33)30(27)18-14-23-10-4-1-5-11-23/h1,4-5,10-11,24,31H,2-3,6-9,12-22H2
InChIKeyVDMAPWHALSKSIU-UHFFFAOYSA-N
XLogP4.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(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-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109454
3-benzyl-8-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134019
8-(3-methylbutyl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109321
1-butyl-3-(2-methylpropyl)-8-(6-phenylhexyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 23109302
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
3-benzyl-1-(3-methoxypropyl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213764
2-[3-[3-(cyclobutylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]phenyl]acetic acid
CID 24896086
3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142104
2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26221283
8-(1,3-benzodioxol-4-ylmethyl)-3-(cyclohexylmethyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109436
2-[2,4-dioxo-1-(2-phenylethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 45164830
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 23109373) is 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1N(CC2CCCCC2)C(=O)C2(CCN(CCCCCO)CC2)N1CCc1ccccc1.
What is the InChIKey of 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VDMAPWHALSKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c31-21-9-3-8-17-28-19-15-27(16-20-28)25(32)29(22-24-12-6-2-7-13-24)26(33)30(27)18-14-23-10-4-1-5-11-23/h1,4-5,10-11,24,31H,2-3,6-9,12-22H2.
What are the key properties of 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 455.64 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 23109373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).