3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C17H17N3O4 — CID 121160201

IUPAC3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1cc2ccccc2o1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C17H17N3O4/c21-15-10-18-17(23)20(15)12-5-7-19(8-6-12)16(22)14-9-11-3-1-2-4-13(11)24-14/h1-4,9,12H,5-8,10H2,(H,18,23)
InChIKeyORINGOUTGIKVFV-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.59
Rot. Bonds2

About 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160201) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160201
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1cc2ccccc2o1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C17H17N3O4/c21-15-10-18-17(23)20(15)12-5-7-19(8-6-12)16(22)14-9-11-3-1-2-4-13(11)24-14/h1-4,9,12H,5-8,10H2,(H,18,23)
InChIKeyORINGOUTGIKVFV-UHFFFAOYSA-N
XLogP1.59
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(1-benzofuran-2-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

3-[1-(4-oxochromene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159763
3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159764
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632072
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56818170
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160201) is 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C(c1cc2ccccc2o1)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is ORINGOUTGIKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-15-10-18-17(23)20(15)12-5-7-19(8-6-12)16(22)14-9-11-3-1-2-4-13(11)24-14/h1-4,9,12H,5-8,10H2,(H,18,23).
What are the key properties of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 327.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).