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

C24H35N5O3 — CID 110084271

IUPAC3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C24H35N5O3/c1-26(2)18-21(30)28-14-9-20(10-15-28)29-22(31)24(25-23(29)32)11-16-27(17-12-24)13-8-19-6-4-3-5-7-19/h3-7,20H,8-18H2,1-2H3,(H,25,32)
InChIKeySJTIBBRVGMFFDE-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.17
Rot. Bonds6

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

3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084271) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084271
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C24H35N5O3/c1-26(2)18-21(30)28-14-9-20(10-15-28)29-22(31)24(25-23(29)32)11-16-27(17-12-24)13-8-19-6-4-3-5-7-19/h3-7,20H,8-18H2,1-2H3,(H,25,32)
InChIKeySJTIBBRVGMFFDE-UHFFFAOYSA-N
XLogP1.17
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-[2-(dimethylamino)acetyl]piperidin-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-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084272
3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084251
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
3-[(3S)-1-ethylpiperidin-3-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620696
8-(2-methylpropanoyl)-3-[1-(2-phenylacetyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620525
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-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084280
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084159
3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084250
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084271) is 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1.
What is the InChIKey of 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SJTIBBRVGMFFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-26(2)18-21(30)28-14-9-20(10-15-28)29-22(31)24(25-23(29)32)11-16-27(17-12-24)13-8-19-6-4-3-5-7-19/h3-7,20H,8-18H2,1-2H3,(H,25,32).
What are the key properties of 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 441.58 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).