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

C15H31N3O3 — CID 18766211

IUPAC1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
SMILESCCCCCCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C15H31N3O3/c1-2-3-4-6-9-16-15(20)17-21-13-14(19)12-18-10-7-5-8-11-18/h14,19H,2-13H2,1H3,(H2,16,17,20)
InChIKeyXSKNKJXZLKTHRI-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.64
Rot. Bonds10

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

1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea (PubChem CID 18766211) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea.

Molecular Properties

Compound Name1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
PubChem CID18766211
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
SMILESCCCCCCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C15H31N3O3/c1-2-3-4-6-9-16-15(20)17-21-13-14(19)12-18-10-7-5-8-11-18/h14,19H,2-13H2,1H3,(H2,16,17,20)
InChIKeyXSKNKJXZLKTHRI-UHFFFAOYSA-N
XLogP1.64
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.64
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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Related Compounds

1-(2-Hydroxy-3-piperidin-1-ylpropoxy)-3-octylurea
CID 17879599
N-hexyl-4-hydroxypiperidine-1-carboxamide
CID 18174040
N-[2-hydroxy-3-(1-piperidinyl)propoxy]-N'-heptyl-urea
CID 18766188
1-(2-Hydroxy-3-piperidin-1-ylpropoxy)-3-propylurea
CID 18766220
1-Tert-butyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
CID 18766227
1-Cyclohexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
CID 18766239
1-(2-Hydroxy-3-piperidin-1-ylpropoxy)-3-pentylurea
CID 19598327
N-isopropyl-N'-(2-hydroxy-3-piperidino-propoxy)-urea
CID 19598328
1-Hexyl-1-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
CID 19598333
1-Hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea
CID 19598338
1-(2-Hydroxy-3-piperidin-1-ylpropoxy)-3-methylurea
CID 19598339
N-(2-hydroxypropyl)-2-methylpiperidine-1-carboxamide
CID 21406201

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The IUPAC name of 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea (CID 18766211) is 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea.
What is the SMILES notation for 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The canonical SMILES for 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea is CCCCCCNC(=O)NOCC(O)CN1CCCCC1.
What is the InChIKey of 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The InChIKey is XSKNKJXZLKTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-2-3-4-6-9-16-15(20)17-21-13-14(19)12-18-10-7-5-8-11-18/h14,19H,2-13H2,1H3,(H2,16,17,20).
What are the key properties of 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea has a molecular weight of 301.43 g/mol, XLogP of 1.64, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea is sourced from PubChem (CID 18766211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).