1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea

C18H36N4O — CID 110403648

IUPAC1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea
SMILESCC(C)CC(CNC(=O)NC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C18H36N4O/c1-15(2)13-17(22-11-9-21(3)10-12-22)14-19-18(23)20-16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3,(H2,19,20,23)
InChIKeyZSKNBERXOMFEEP-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.28
Rot. Bonds6

About 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea

1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea (PubChem CID 110403648) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea
PubChem CID110403648
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea
SMILESCC(C)CC(CNC(=O)NC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C18H36N4O/c1-15(2)13-17(22-11-9-21(3)10-12-22)14-19-18(23)20-16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3,(H2,19,20,23)
InChIKeyZSKNBERXOMFEEP-UHFFFAOYSA-N
XLogP2.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)urea
CID 110403501
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
CID 110402862
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-cyclohexyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110959205
1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890
1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110934699
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365468
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea (CID 110403648) is 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea is CC(C)CC(CNC(=O)NC1CCCCC1)N1CCN(C)CC1.
What is the InChIKey of 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea?
The InChIKey is ZSKNBERXOMFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-15(2)13-17(22-11-9-21(3)10-12-22)14-19-18(23)20-16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea?
1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea has a molecular weight of 324.51 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea is sourced from PubChem (CID 110403648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).