1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea

C15H20N4O2 — CID 112981733

IUPAC1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
SMILESO=CN1CCN(c2ccc(NC(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H20N4O2/c20-11-18-7-9-19(10-8-18)14-5-3-13(4-6-14)17-15(21)16-12-1-2-12/h3-6,11-12H,1-2,7-10H2,(H2,16,17,21)
InChIKeyFXSOYAXIIHYSLX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds4

About 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea

1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea (PubChem CID 112981733) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
PubChem CID112981733
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
SMILESO=CN1CCN(c2ccc(NC(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H20N4O2/c20-11-18-7-9-19(10-8-18)14-5-3-13(4-6-14)17-15(21)16-12-1-2-12/h3-6,11-12H,1-2,7-10H2,(H2,16,17,21)
InChIKeyFXSOYAXIIHYSLX-UHFFFAOYSA-N
XLogP1.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
CID 113011163
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
1-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110613966
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
CID 95634857
1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
CID 112984243
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide
CID 47150343
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea (CID 112981733) is 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea is O=CN1CCN(c2ccc(NC(=O)NC3CC3)cc2)CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea?
The InChIKey is FXSOYAXIIHYSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-11-18-7-9-19(10-8-18)14-5-3-13(4-6-14)17-15(21)16-12-1-2-12/h3-6,11-12H,1-2,7-10H2,(H2,16,17,21).
What are the key properties of 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea?
1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea has a molecular weight of 288.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 112981733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).