1,3-di(piperidin-4-yl)urea

C11H22N4O — CID 58973009

IUPAC1,3-di(piperidin-4-yl)urea
SMILESO=C(NC1CCNCC1)NC1CCNCC1
InChIInChI=1S/C11H22N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h9-10,12-13H,1-8H2,(H2,14,15,16)
InChIKeyAEGYWLZLEJYWCI-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.21
Rot. Bonds2

About 1,3-di(piperidin-4-yl)urea

1,3-di(piperidin-4-yl)urea (PubChem CID 58973009) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,3-di(piperidin-4-yl)urea.

Molecular Properties

Compound Name1,3-di(piperidin-4-yl)urea
PubChem CID58973009
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1,3-di(piperidin-4-yl)urea
SMILESO=C(NC1CCNCC1)NC1CCNCC1
InChIInChI=1S/C11H22N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h9-10,12-13H,1-8H2,(H2,14,15,16)
InChIKeyAEGYWLZLEJYWCI-UHFFFAOYSA-N
XLogP-0.21
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(piperidin-4-yl)urea?
The IUPAC name of 1,3-di(piperidin-4-yl)urea (CID 58973009) is 1,3-di(piperidin-4-yl)urea.
What is the SMILES notation for 1,3-di(piperidin-4-yl)urea?
The canonical SMILES for 1,3-di(piperidin-4-yl)urea is O=C(NC1CCNCC1)NC1CCNCC1.
What is the InChIKey of 1,3-di(piperidin-4-yl)urea?
The InChIKey is AEGYWLZLEJYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h9-10,12-13H,1-8H2,(H2,14,15,16).
What are the key properties of 1,3-di(piperidin-4-yl)urea?
1,3-di(piperidin-4-yl)urea has a molecular weight of 226.32 g/mol, XLogP of -0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(piperidin-4-yl)urea is sourced from PubChem (CID 58973009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).