1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

C18H26N4O — CID 71920717

IUPAC1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)NC2C=CCCC2)CC1
InChIInChI=1S/C18H26N4O/c1-21-11-13-22(14-12-21)17-10-6-5-9-16(17)20-18(23)19-15-7-3-2-4-8-15/h3,5-7,9-10,15H,2,4,8,11-14H2,1H3,(H2,19,20,23)
InChIKeyFWYPAOGATGVKNX-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.67
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 71920717) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID71920717
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)NC2C=CCCC2)CC1
InChIInChI=1S/C18H26N4O/c1-21-11-13-22(14-12-21)17-10-6-5-9-16(17)20-18(23)19-15-7-3-2-4-8-15/h3,5-7,9-10,15H,2,4,8,11-14H2,1H3,(H2,19,20,23)
InChIKeyFWYPAOGATGVKNX-UHFFFAOYSA-N
XLogP2.67
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630138
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111425534
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
1-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-cyclopentylurea
CID 171547125
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126
1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111722525
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
CID 71971050
[2-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 4275618
1-cyclohex-2-en-1-yl-3-(3-fluoro-4-pyridinyl)urea
CID 75506417

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (CID 71920717) is 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is CN1CCN(c2ccccc2NC(=O)NC2C=CCCC2)CC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is FWYPAOGATGVKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-11-13-22(14-12-21)17-10-6-5-9-16(17)20-18(23)19-15-7-3-2-4-8-15/h3,5-7,9-10,15H,2,4,8,11-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 314.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 71920717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).