1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea

C15H29N3O3 — CID 18766239

IUPAC1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
SMILESO=C(NOCC(O)CN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3O3/c19-14(11-18-9-5-2-6-10-18)12-21-17-15(20)16-13-7-3-1-4-8-13/h13-14,19H,1-12H2,(H2,16,17,20)
InChIKeyHVUAHWLBZZDJBA-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.40
Rot. Bonds6

About 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea

1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea (PubChem CID 18766239) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
PubChem CID18766239
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
SMILESO=C(NOCC(O)CN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3O3/c19-14(11-18-9-5-2-6-10-18)12-21-17-15(20)16-13-7-3-1-4-8-13/h13-14,19H,1-12H2,(H2,16,17,20)
InChIKeyHVUAHWLBZZDJBA-UHFFFAOYSA-N
XLogP1.40
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The IUPAC name of 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea (CID 18766239) is 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea is O=C(NOCC(O)CN1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The InChIKey is HVUAHWLBZZDJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c19-14(11-18-9-5-2-6-10-18)12-21-17-15(20)16-13-7-3-1-4-8-13/h13-14,19H,1-12H2,(H2,16,17,20).
What are the key properties of 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea has a molecular weight of 299.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea is sourced from PubChem (CID 18766239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).