1-pentyl-3-(6-piperidin-1-ylhexyl)urea

C17H35N3O — CID 58599050

IUPAC1-pentyl-3-(6-piperidin-1-ylhexyl)urea
SMILESCCCCCNC(=O)NCCCCCCN1CCCCC1
InChIInChI=1S/C17H35N3O/c1-2-3-7-12-18-17(21)19-13-8-4-5-9-14-20-15-10-6-11-16-20/h2-16H2,1H3,(H2,18,19,21)
InChIKeyPLGJJJRWGTXCJD-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.52
Rot. Bonds11

About 1-pentyl-3-(6-piperidin-1-ylhexyl)urea

1-pentyl-3-(6-piperidin-1-ylhexyl)urea (PubChem CID 58599050) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-pentyl-3-(6-piperidin-1-ylhexyl)urea.

Molecular Properties

Compound Name1-pentyl-3-(6-piperidin-1-ylhexyl)urea
PubChem CID58599050
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-pentyl-3-(6-piperidin-1-ylhexyl)urea
SMILESCCCCCNC(=O)NCCCCCCN1CCCCC1
InChIInChI=1S/C17H35N3O/c1-2-3-7-12-18-17(21)19-13-8-4-5-9-14-20-15-10-6-11-16-20/h2-16H2,1H3,(H2,18,19,21)
InChIKeyPLGJJJRWGTXCJD-UHFFFAOYSA-N
XLogP3.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
1-decylpiperidine;methanesulfonic acid
CID 175874627
CID 162323144
CID 162323144
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-(6-piperidin-1-ylhexyl)urea?
The IUPAC name of 1-pentyl-3-(6-piperidin-1-ylhexyl)urea (CID 58599050) is 1-pentyl-3-(6-piperidin-1-ylhexyl)urea.
What is the SMILES notation for 1-pentyl-3-(6-piperidin-1-ylhexyl)urea?
The canonical SMILES for 1-pentyl-3-(6-piperidin-1-ylhexyl)urea is CCCCCNC(=O)NCCCCCCN1CCCCC1.
What is the InChIKey of 1-pentyl-3-(6-piperidin-1-ylhexyl)urea?
The InChIKey is PLGJJJRWGTXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-2-3-7-12-18-17(21)19-13-8-4-5-9-14-20-15-10-6-11-16-20/h2-16H2,1H3,(H2,18,19,21).
What are the key properties of 1-pentyl-3-(6-piperidin-1-ylhexyl)urea?
1-pentyl-3-(6-piperidin-1-ylhexyl)urea has a molecular weight of 297.49 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-(6-piperidin-1-ylhexyl)urea is sourced from PubChem (CID 58599050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).