1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea

C14H29N3O3 — CID 19598327

IUPAC1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea
SMILESCCCCCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C14H29N3O3/c1-2-3-5-8-15-14(19)16-20-12-13(18)11-17-9-6-4-7-10-17/h13,18H,2-12H2,1H3,(H2,15,16,19)
InChIKeyVRZDSOHJDNFFKK-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.25
Rot. Bonds9

About 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea

1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea (PubChem CID 19598327) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea
PubChem CID19598327
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea
SMILESCCCCCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C14H29N3O3/c1-2-3-5-8-15-14(19)16-20-12-13(18)11-17-9-6-4-7-10-17/h13,18H,2-12H2,1H3,(H2,15,16,19)
InChIKeyVRZDSOHJDNFFKK-UHFFFAOYSA-N
XLogP1.25
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea?
The IUPAC name of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea (CID 19598327) is 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea.
What is the SMILES notation for 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea?
The canonical SMILES for 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea is CCCCCNC(=O)NOCC(O)CN1CCCCC1.
What is the InChIKey of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea?
The InChIKey is VRZDSOHJDNFFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-2-3-5-8-15-14(19)16-20-12-13(18)11-17-9-6-4-7-10-17/h13,18H,2-12H2,1H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea?
1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea has a molecular weight of 287.40 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea is sourced from PubChem (CID 19598327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).