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

C16H33N3O3 — CID 18766188

IUPAC1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
SMILESCCCCCCCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C16H33N3O3/c1-2-3-4-5-7-10-17-16(21)18-22-14-15(20)13-19-11-8-6-9-12-19/h15,20H,2-14H2,1H3,(H2,17,18,21)
InChIKeyDOOWUNBVULOPKQ-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.03
Rot. Bonds11

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

1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea (PubChem CID 18766188) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea.

Molecular Properties

Compound Name1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
PubChem CID18766188
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Name1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
SMILESCCCCCCCNC(=O)NOCC(O)CN1CCCCC1
InChIInChI=1S/C16H33N3O3/c1-2-3-4-5-7-10-17-16(21)18-22-14-15(20)13-19-11-8-6-9-12-19/h15,20H,2-14H2,1H3,(H2,17,18,21)
InChIKeyDOOWUNBVULOPKQ-UHFFFAOYSA-N
XLogP2.03
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.03
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-n-hexyl-N'-(2-hydroxy-3-piperidino-propoxy)-urea
CID 18766211
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
1,3-Dihexyl-1-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
CID 87548200
1-Aminooxy-3-piperidin-1-ylpropan-2-ol;1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea
CID 88331492

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The IUPAC name of 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea (CID 18766188) is 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea.
What is the SMILES notation for 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The canonical SMILES for 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea is CCCCCCCNC(=O)NOCC(O)CN1CCCCC1.
What is the InChIKey of 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
The InChIKey is DOOWUNBVULOPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-2-3-4-5-7-10-17-16(21)18-22-14-15(20)13-19-11-8-6-9-12-19/h15,20H,2-14H2,1H3,(H2,17,18,21).
What are the key properties of 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea?
1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea has a molecular weight of 315.46 g/mol, XLogP of 2.03, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-(2-hydroxy-3-piperidin-1-ylpropoxy)urea is sourced from PubChem (CID 18766188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).