2-piperidin-1-ylethylurea

C8H17N3O — CID 22179619

IUPAC2-piperidin-1-ylethylurea
SMILESNC(=O)NCCN1CCCCC1
InChIInChI=1S/C8H17N3O/c9-8(12)10-4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10,12)
InChIKeyFDAWBMYJDPMZIA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds3

About 2-piperidin-1-ylethylurea

2-piperidin-1-ylethylurea (PubChem CID 22179619) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-piperidin-1-ylethylurea.

Molecular Properties

Compound Name2-piperidin-1-ylethylurea
PubChem CID22179619
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-piperidin-1-ylethylurea
SMILESNC(=O)NCCN1CCCCC1
InChIInChI=1S/C8H17N3O/c9-8(12)10-4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10,12)
InChIKeyFDAWBMYJDPMZIA-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethylurea?
The IUPAC name of 2-piperidin-1-ylethylurea (CID 22179619) is 2-piperidin-1-ylethylurea.
What is the SMILES notation for 2-piperidin-1-ylethylurea?
The canonical SMILES for 2-piperidin-1-ylethylurea is NC(=O)NCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethylurea?
The InChIKey is FDAWBMYJDPMZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(12)10-4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10,12).
What are the key properties of 2-piperidin-1-ylethylurea?
2-piperidin-1-ylethylurea has a molecular weight of 171.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethylurea is sourced from PubChem (CID 22179619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).