3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C26H33N5O4 — CID 118366440

IUPAC3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1cccc(N2CCCC(O)C2)n1
InChIInChI=1S/C26H33N5O4/c1-17-14-20(21(33)16-30-24(34)26(28-25(30)35)11-4-3-5-12-26)18(2)31(17)23-10-6-9-22(27-23)29-13-7-8-19(32)15-29/h6,9-10,14,19,32H,3-5,7-8,11-13,15-16H2,1-2H3,(H,28,35)
InChIKeyRPXAKZDOHFWKLD-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.89
Rot. Bonds5

About 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 118366440) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID118366440
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1cccc(N2CCCC(O)C2)n1
InChIInChI=1S/C26H33N5O4/c1-17-14-20(21(33)16-30-24(34)26(28-25(30)35)11-4-3-5-12-26)18(2)31(17)23-10-6-9-22(27-23)29-13-7-8-19(32)15-29/h6,9-10,14,19,32H,3-5,7-8,11-13,15-16H2,1-2H3,(H,28,35)
InChIKeyRPXAKZDOHFWKLD-UHFFFAOYSA-N
XLogP2.89
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[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-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3986972
3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622530
3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2622817
3-[2-[1-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609770
3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7175038
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4819005
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
methyl 3-[3-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7610723
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609704
3-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4858591
3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979901
(5R,6R)-3-[2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7175059

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 118366440) is 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1cccc(N2CCCC(O)C2)n1.
What is the InChIKey of 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RPXAKZDOHFWKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-17-14-20(21(33)16-30-24(34)26(28-25(30)35)11-4-3-5-12-26)18(2)31(17)23-10-6-9-22(27-23)29-13-7-8-19(32)15-29/h6,9-10,14,19,32H,3-5,7-8,11-13,15-16H2,1-2H3,(H,28,35).
What are the key properties of 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 479.58 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[6-(3-hydroxypiperidin-1-yl)-2-pyridinyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118366440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).