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

C16H29N3O — CID 110874782

IUPAC3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C(=O)NC2CCCCC2)C2CC2)CC1
InChIInChI=1S/C16H29N3O/c1-18-11-9-15(10-12-18)19(14-7-8-14)16(20)17-13-5-3-2-4-6-13/h13-15H,2-12H2,1H3,(H,17,20)
InChIKeyLYLYJJABYHDABO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.59
Rot. Bonds3

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

3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 110874782) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID110874782
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C(=O)NC2CCCCC2)C2CC2)CC1
InChIInChI=1S/C16H29N3O/c1-18-11-9-15(10-12-18)19(14-7-8-14)16(20)17-13-5-3-2-4-6-13/h13-15H,2-12H2,1H3,(H,17,20)
InChIKeyLYLYJJABYHDABO-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea (CID 110874782) is 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C(=O)NC2CCCCC2)C2CC2)CC1.
What is the InChIKey of 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is LYLYJJABYHDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-18-11-9-15(10-12-18)19(14-7-8-14)16(20)17-13-5-3-2-4-6-13/h13-15H,2-12H2,1H3,(H,17,20).
What are the key properties of 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 279.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 110874782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).