5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C17H26N6O3 — CID 137467954

IUPAC5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESN/C=C\C=C(/N)N1CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1
InChIInChI=1S/C17H26N6O3/c18-7-1-2-13(19)22-8-10-23(11-9-22)14(24)5-6-17(12-3-4-12)15(25)20-16(26)21-17/h1-2,7,12H,3-6,8-11,18-19H2,(H2,20,21,25,26)/b7-1-,13-2+
InChIKeyUOYDYNHXLZGSQH-QVVJNCLRSA-N
MW362.43 g/mol
LogP-0.83
Rot. Bonds6

About 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 137467954) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID137467954
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESN/C=C\C=C(/N)N1CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1
InChIInChI=1S/C17H26N6O3/c18-7-1-2-13(19)22-8-10-23(11-9-22)14(24)5-6-17(12-3-4-12)15(25)20-16(26)21-17/h1-2,7,12H,3-6,8-11,18-19H2,(H2,20,21,25,26)/b7-1-,13-2+
InChIKeyUOYDYNHXLZGSQH-QVVJNCLRSA-N
XLogP-0.83
TPSA133.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]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-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 137467954) is 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is N/C=C\C=C(/N)N1CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is UOYDYNHXLZGSQH-QVVJNCLRSA-N. The full InChI is InChI=1S/C17H26N6O3/c18-7-1-2-13(19)22-8-10-23(11-9-22)14(24)5-6-17(12-3-4-12)15(25)20-16(26)21-17/h1-2,7,12H,3-6,8-11,18-19H2,(H2,20,21,25,26)/b7-1-,13-2+.
What are the key properties of 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[4-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 137467954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).