5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione

C18H29N3O3 — CID 126463038

IUPAC5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(C2(CCC(C)C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-4-5-6-15(22)21-11-8-14(9-12-21)18(10-7-13(2)3)16(23)19-17(24)20-18/h4,13-14H,1,5-12H2,2-3H3,(H2,19,20,23,24)
InChIKeyJCVXDGCMXOKASV-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.21
Rot. Bonds7

About 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione

5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (PubChem CID 126463038) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
PubChem CID126463038
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(C2(CCC(C)C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-4-5-6-15(22)21-11-8-14(9-12-21)18(10-7-13(2)3)16(23)19-17(24)20-18/h4,13-14H,1,5-12H2,2-3H3,(H2,19,20,23,24)
InChIKeyJCVXDGCMXOKASV-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (CID 126463038) is 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is C=CCCC(=O)N1CCC(C2(CCC(C)C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The InChIKey is JCVXDGCMXOKASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-5-6-15(22)21-11-8-14(9-12-21)18(10-7-13(2)3)16(23)19-17(24)20-18/h4,13-14H,1,5-12H2,2-3H3,(H2,19,20,23,24).
What are the key properties of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione has a molecular weight of 335.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 126463038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).