1-octyl-3-(2-piperidin-1-ylethyl)urea

C16H33N3O — CID 139652292

IUPAC1-octyl-3-(2-piperidin-1-ylethyl)urea
SMILESCCCCCCCCNC(=O)NCCN1CCCCC1
InChIInChI=1S/C16H33N3O/c1-2-3-4-5-6-8-11-17-16(20)18-12-15-19-13-9-7-10-14-19/h2-15H2,1H3,(H2,17,18,20)
InChIKeyLOCGGGIPLPTMSD-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.13
Rot. Bonds10

About 1-octyl-3-(2-piperidin-1-ylethyl)urea

1-octyl-3-(2-piperidin-1-ylethyl)urea (PubChem CID 139652292) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-octyl-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-octyl-3-(2-piperidin-1-ylethyl)urea
PubChem CID139652292
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-octyl-3-(2-piperidin-1-ylethyl)urea
SMILESCCCCCCCCNC(=O)NCCN1CCCCC1
InChIInChI=1S/C16H33N3O/c1-2-3-4-5-6-8-11-17-16(20)18-12-15-19-13-9-7-10-14-19/h2-15H2,1H3,(H2,17,18,20)
InChIKeyLOCGGGIPLPTMSD-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.13
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-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
1-decylpiperidine;methanesulfonic acid
CID 175874627
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
hexadecyl N-(2-pyrrolidin-1-ylethylcarbamoyl)carbamate;hydrochloride
CID 67492149
CID 162323144
CID 162323144
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971

Frequently Asked Questions

What is the IUPAC name of 1-octyl-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-octyl-3-(2-piperidin-1-ylethyl)urea (CID 139652292) is 1-octyl-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-octyl-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-octyl-3-(2-piperidin-1-ylethyl)urea is CCCCCCCCNC(=O)NCCN1CCCCC1.
What is the InChIKey of 1-octyl-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is LOCGGGIPLPTMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-2-3-4-5-6-8-11-17-16(20)18-12-15-19-13-9-7-10-14-19/h2-15H2,1H3,(H2,17,18,20).
What are the key properties of 1-octyl-3-(2-piperidin-1-ylethyl)urea?
1-octyl-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 283.46 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 139652292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).