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

C10H21N3O3 — CID 19598339

IUPAC1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea
SMILESCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C10H21N3O3/c1-11-10(15)12-16-8-9(14)7-13-5-3-2-4-6-13/h9,14H,2-8H2,1H3,(H2,11,12,15)
InChIKeyTYYDSBNHEIUYCI-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.31
Rot. Bonds5

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

1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea (PubChem CID 19598339) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea
PubChem CID19598339
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea
SMILESCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C10H21N3O3/c1-11-10(15)12-16-8-9(14)7-13-5-3-2-4-6-13/h9,14H,2-8H2,1H3,(H2,11,12,15)
InChIKeyTYYDSBNHEIUYCI-UHFFFAOYSA-N
XLogP-0.31
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.31
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-methylurea?
The IUPAC name of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea (CID 19598339) is 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea.
What is the SMILES notation for 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea?
The canonical SMILES for 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea is CNC(=O)NOCC(O)CN1CCCCC1.
What is the InChIKey of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea?
The InChIKey is TYYDSBNHEIUYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-11-10(15)12-16-8-9(14)7-13-5-3-2-4-6-13/h9,14H,2-8H2,1H3,(H2,11,12,15).
What are the key properties of 1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea?
1-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea has a molecular weight of 231.30 g/mol, XLogP of -0.31, 5 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-methylurea is sourced from PubChem (CID 19598339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).