1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea

C17H25N5O2 — CID 113011163

IUPAC1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
SMILESO=CN1CCN(c2ccc(NC(=O)NC3CCCCC3)cn2)CC1
InChIInChI=1S/C17H25N5O2/c23-13-21-8-10-22(11-9-21)16-7-6-15(12-18-16)20-17(24)19-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H2,19,20,24)
InChIKeyDWVUACGVGQHCSE-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.81
Rot. Bonds4

About 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea

1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea (PubChem CID 113011163) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
PubChem CID113011163
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
SMILESO=CN1CCN(c2ccc(NC(=O)NC3CCCCC3)cn2)CC1
InChIInChI=1S/C17H25N5O2/c23-13-21-8-10-22(11-9-21)16-7-6-15(12-18-16)20-17(24)19-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H2,19,20,24)
InChIKeyDWVUACGVGQHCSE-UHFFFAOYSA-N
XLogP1.81
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea 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

1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
CID 112981733
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 100852720
1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
CID 113013160
2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 113011122
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 53498070
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea (CID 113011163) is 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea is O=CN1CCN(c2ccc(NC(=O)NC3CCCCC3)cn2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea?
The InChIKey is DWVUACGVGQHCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-13-21-8-10-22(11-9-21)16-7-6-15(12-18-16)20-17(24)19-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H2,19,20,24).
What are the key properties of 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea?
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea has a molecular weight of 331.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 113011163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).