1-(2-piperidin-1-ylethyl)-3-tetradecylurea

C22H45N3O — CID 139652340

IUPAC1-(2-piperidin-1-ylethyl)-3-tetradecylurea
SMILESCCCCCCCCCCCCCCNC(=O)NCCN1CCCCC1
InChIInChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-22(26)24-18-21-25-19-15-13-16-20-25/h2-21H2,1H3,(H2,23,24,26)
InChIKeyAIIJVSGLEBFTLZ-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.47
Rot. Bonds16

About 1-(2-piperidin-1-ylethyl)-3-tetradecylurea

1-(2-piperidin-1-ylethyl)-3-tetradecylurea (PubChem CID 139652340) has the molecular formula C22H45N3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-tetradecylurea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-tetradecylurea
PubChem CID139652340
Molecular FormulaC22H45N3O
Molecular Weight367.62 g/mol
Exact Mass367.36
IUPAC Name1-(2-piperidin-1-ylethyl)-3-tetradecylurea
SMILESCCCCCCCCCCCCCCNC(=O)NCCN1CCCCC1
InChIInChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-22(26)24-18-21-25-19-15-13-16-20-25/h2-21H2,1H3,(H2,23,24,26)
InChIKeyAIIJVSGLEBFTLZ-UHFFFAOYSA-N
XLogP5.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.47
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-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
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-(2-piperidin-1-ylethyl)-3-tetradecylurea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-tetradecylurea (CID 139652340) is 1-(2-piperidin-1-ylethyl)-3-tetradecylurea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-tetradecylurea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-tetradecylurea is CCCCCCCCCCCCCCNC(=O)NCCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-tetradecylurea?
The InChIKey is AIIJVSGLEBFTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-22(26)24-18-21-25-19-15-13-16-20-25/h2-21H2,1H3,(H2,23,24,26).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-tetradecylurea?
1-(2-piperidin-1-ylethyl)-3-tetradecylurea has a molecular weight of 367.62 g/mol, XLogP of 5.47, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-tetradecylurea is sourced from PubChem (CID 139652340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).