1-phenyl-1-piperidin-4-yloxyurea

C12H17N3O2 — CID 87468836

IUPAC1-phenyl-1-piperidin-4-yloxyurea
SMILESNC(=O)N(OC1CCNCC1)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-12(16)15(10-4-2-1-3-5-10)17-11-6-8-14-9-7-11/h1-5,11,14H,6-9H2,(H2,13,16)
InChIKeyQVPOAJMFFCCDMT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.26
Rot. Bonds3

About 1-phenyl-1-piperidin-4-yloxyurea

1-phenyl-1-piperidin-4-yloxyurea (PubChem CID 87468836) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-phenyl-1-piperidin-4-yloxyurea.

Molecular Properties

Compound Name1-phenyl-1-piperidin-4-yloxyurea
PubChem CID87468836
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-phenyl-1-piperidin-4-yloxyurea
SMILESNC(=O)N(OC1CCNCC1)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-12(16)15(10-4-2-1-3-5-10)17-11-6-8-14-9-7-11/h1-5,11,14H,6-9H2,(H2,13,16)
InChIKeyQVPOAJMFFCCDMT-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-piperidin-4-yloxyurea?
The IUPAC name of 1-phenyl-1-piperidin-4-yloxyurea (CID 87468836) is 1-phenyl-1-piperidin-4-yloxyurea.
What is the SMILES notation for 1-phenyl-1-piperidin-4-yloxyurea?
The canonical SMILES for 1-phenyl-1-piperidin-4-yloxyurea is NC(=O)N(OC1CCNCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-piperidin-4-yloxyurea?
The InChIKey is QVPOAJMFFCCDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)15(10-4-2-1-3-5-10)17-11-6-8-14-9-7-11/h1-5,11,14H,6-9H2,(H2,13,16).
What are the key properties of 1-phenyl-1-piperidin-4-yloxyurea?
1-phenyl-1-piperidin-4-yloxyurea has a molecular weight of 235.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-piperidin-4-yloxyurea is sourced from PubChem (CID 87468836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).