3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C27H28N4O5 — CID 118754277

IUPAC3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C27H28N4O5/c1-2-27(25(33)31(26(34)29-27)15-17-3-6-22-23(13-17)36-16-35-22)20-8-11-30(12-9-20)24(32)19-5-4-18-7-10-28-21(18)14-19/h3-7,10,13-14,20,28H,2,8-9,11-12,15-16H2,1H3,(H,29,34)
InChIKeyXFJHJMSIQBZLLB-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.65
Rot. Bonds5

About 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 118754277) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID118754277
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C27H28N4O5/c1-2-27(25(33)31(26(34)29-27)15-17-3-6-22-23(13-17)36-16-35-22)20-8-11-30(12-9-20)24(32)19-5-4-18-7-10-28-21(18)14-19/h3-7,10,13-14,20,28H,2,8-9,11-12,15-16H2,1H3,(H,29,34)
InChIKeyXFJHJMSIQBZLLB-UHFFFAOYSA-N
XLogP3.65
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-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

(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26279424
3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45178737
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 42164968
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42433647
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42246406
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 42164166
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 42481585
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 26277997
(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42163382
3-(1,3-benzodioxol-5-ylmethyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264231
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
(5R)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 42367835

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 118754277) is 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is CCC1(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XFJHJMSIQBZLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-2-27(25(33)31(26(34)29-27)15-17-3-6-22-23(13-17)36-16-35-22)20-8-11-30(12-9-20)24(32)19-5-4-18-7-10-28-21(18)14-19/h3-7,10,13-14,20,28H,2,8-9,11-12,15-16H2,1H3,(H,29,34).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 488.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 118754277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).