1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea

C12H25N3O3 — CID 19598328

IUPAC1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C12H25N3O3/c1-10(2)13-12(17)14-18-9-11(16)8-15-6-4-3-5-7-15/h10-11,16H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyQNITVWLKRGEOEP-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.47
Rot. Bonds6

About 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea

1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea (PubChem CID 19598328) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea
PubChem CID19598328
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C12H25N3O3/c1-10(2)13-12(17)14-18-9-11(16)8-15-6-4-3-5-7-15/h10-11,16H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyQNITVWLKRGEOEP-UHFFFAOYSA-N
XLogP0.47
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.47
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-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea (CID 19598328) is 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea is CC(C)NC(=O)NOCC(O)CN1CCCCC1.
What is the InChIKey of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea?
The InChIKey is QNITVWLKRGEOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-10(2)13-12(17)14-18-9-11(16)8-15-6-4-3-5-7-15/h10-11,16H,3-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea?
1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-propan-2-ylurea has a molecular weight of 259.35 g/mol, XLogP of 0.47, 6 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-propan-2-ylurea is sourced from PubChem (CID 19598328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).