2-(5-benzylpiperidin-2-yl)ethylurea

C15H23N3O — CID 142001060

IUPAC2-(5-benzylpiperidin-2-yl)ethylurea
SMILESNC(=O)NCCC1CCC(Cc2ccccc2)CN1
InChIInChI=1S/C15H23N3O/c16-15(19)17-9-8-14-7-6-13(11-18-14)10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2,(H3,16,17,19)
InChIKeyGUCDIOPMLDZDRS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.66
Rot. Bonds5

About 2-(5-benzylpiperidin-2-yl)ethylurea

2-(5-benzylpiperidin-2-yl)ethylurea (PubChem CID 142001060) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(5-benzylpiperidin-2-yl)ethylurea.

Molecular Properties

Compound Name2-(5-benzylpiperidin-2-yl)ethylurea
PubChem CID142001060
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(5-benzylpiperidin-2-yl)ethylurea
SMILESNC(=O)NCCC1CCC(Cc2ccccc2)CN1
InChIInChI=1S/C15H23N3O/c16-15(19)17-9-8-14-7-6-13(11-18-14)10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2,(H3,16,17,19)
InChIKeyGUCDIOPMLDZDRS-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzylpiperidin-2-yl)ethylurea?
The IUPAC name of 2-(5-benzylpiperidin-2-yl)ethylurea (CID 142001060) is 2-(5-benzylpiperidin-2-yl)ethylurea.
What is the SMILES notation for 2-(5-benzylpiperidin-2-yl)ethylurea?
The canonical SMILES for 2-(5-benzylpiperidin-2-yl)ethylurea is NC(=O)NCCC1CCC(Cc2ccccc2)CN1.
What is the InChIKey of 2-(5-benzylpiperidin-2-yl)ethylurea?
The InChIKey is GUCDIOPMLDZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15(19)17-9-8-14-7-6-13(11-18-14)10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2,(H3,16,17,19).
What are the key properties of 2-(5-benzylpiperidin-2-yl)ethylurea?
2-(5-benzylpiperidin-2-yl)ethylurea has a molecular weight of 261.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzylpiperidin-2-yl)ethylurea is sourced from PubChem (CID 142001060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).