1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea

C14H28N4O — CID 58279585

IUPAC1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea
SMILESCN1CCN(C2CC(NC(=O)NC(C)(C)C)C2)CC1
InChIInChI=1S/C14H28N4O/c1-14(2,3)16-13(19)15-11-9-12(10-11)18-7-5-17(4)6-8-18/h11-12H,5-10H2,1-4H3,(H2,15,16,19)
InChIKeyZCOLNPHIQXMZOZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.86
Rot. Bonds2

About 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea

1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea (PubChem CID 58279585) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea
PubChem CID58279585
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea
SMILESCN1CCN(C2CC(NC(=O)NC(C)(C)C)C2)CC1
InChIInChI=1S/C14H28N4O/c1-14(2,3)16-13(19)15-11-9-12(10-11)18-7-5-17(4)6-8-18/h11-12H,5-10H2,1-4H3,(H2,15,16,19)
InChIKeyZCOLNPHIQXMZOZ-UHFFFAOYSA-N
XLogP0.86
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea 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 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea?
The IUPAC name of 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea (CID 58279585) is 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea?
The canonical SMILES for 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea is CN1CCN(C2CC(NC(=O)NC(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea?
The InChIKey is ZCOLNPHIQXMZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-14(2,3)16-13(19)15-11-9-12(10-11)18-7-5-17(4)6-8-18/h11-12H,5-10H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea?
1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea has a molecular weight of 268.40 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea is sourced from PubChem (CID 58279585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).