3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea

C14H27N3O — CID 974775

IUPAC3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-10-8-13(9-11-16)17(2)14(18)15-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyLMCPZGSZKWYTKA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.05
Rot. Bonds2

About 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 974775) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID974775
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-10-8-13(9-11-16)17(2)14(18)15-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyLMCPZGSZKWYTKA-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 974775) is 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is LMCPZGSZKWYTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-10-8-13(9-11-16)17(2)14(18)15-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 253.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 974775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).