1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea

C14H28N4O — CID 142393028

IUPAC1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCN(C(N)=O)C2CCCCC2)CC1
InChIInChI=1S/C14H28N4O/c1-16-7-9-17(10-8-16)11-12-18(14(15)19)13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H2,15,19)
InChIKeyPJTQUHIGFBVRGU-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.95
Rot. Bonds4

About 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea

1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea (PubChem CID 142393028) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea
PubChem CID142393028
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCN(C(N)=O)C2CCCCC2)CC1
InChIInChI=1S/C14H28N4O/c1-16-7-9-17(10-8-16)11-12-18(14(15)19)13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H2,15,19)
InChIKeyPJTQUHIGFBVRGU-UHFFFAOYSA-N
XLogP0.95
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea (CID 142393028) is 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea is CN1CCN(CCN(C(N)=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The InChIKey is PJTQUHIGFBVRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-16-7-9-17(10-8-16)11-12-18(14(15)19)13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H2,15,19).
What are the key properties of 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea?
1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea has a molecular weight of 268.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 142393028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).