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

C13H25N3O — CID 6468634

IUPAC1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-16-9-7-12(8-10-16)15-13(17)14-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyHURRTLQDMRVWKP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds2

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

1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea (PubChem CID 6468634) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea
PubChem CID6468634
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-16-9-7-12(8-10-16)15-13(17)14-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyHURRTLQDMRVWKP-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea (CID 6468634) is 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is HURRTLQDMRVWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16-9-7-12(8-10-16)15-13(17)14-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea?
1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 239.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 6468634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).