1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea

C18H36N4O — CID 56827100

IUPAC1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
SMILESCC1CCC(NC(=O)N(C)CCN(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-15-5-7-16(8-6-15)19-18(23)22(4)14-13-21(3)17-9-11-20(2)12-10-17/h15-17H,5-14H2,1-4H3,(H,19,23)
InChIKeyWCSKROCKKCSFOX-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.23
Rot. Bonds5

About 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea

1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea (PubChem CID 56827100) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
PubChem CID56827100
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
SMILESCC1CCC(NC(=O)N(C)CCN(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-15-5-7-16(8-6-15)19-18(23)22(4)14-13-21(3)17-9-11-20(2)12-10-17/h15-17H,5-14H2,1-4H3,(H,19,23)
InChIKeyWCSKROCKKCSFOX-UHFFFAOYSA-N
XLogP2.23
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea?
The IUPAC name of 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea (CID 56827100) is 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea.
What is the SMILES notation for 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea?
The canonical SMILES for 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea is CC1CCC(NC(=O)N(C)CCN(C)C2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea?
The InChIKey is WCSKROCKKCSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-15-5-7-16(8-6-15)19-18(23)22(4)14-13-21(3)17-9-11-20(2)12-10-17/h15-17H,5-14H2,1-4H3,(H,19,23).
What are the key properties of 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea?
1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea has a molecular weight of 324.51 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea is sourced from PubChem (CID 56827100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).