[2-(3-phenylphenyl)piperidin-1-yl]urea

C18H21N3O — CID 174486315

IUPAC[2-(3-phenylphenyl)piperidin-1-yl]urea
SMILESNC(=O)NN1CCCCC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H21N3O/c19-18(22)20-21-12-5-4-11-17(21)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-3,6-10,13,17H,4-5,11-12H2,(H3,19,20,22)
InChIKeyPOGWNGNKDXRVOY-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.46
Rot. Bonds3

About [2-(3-phenylphenyl)piperidin-1-yl]urea

[2-(3-phenylphenyl)piperidin-1-yl]urea (PubChem CID 174486315) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [2-(3-phenylphenyl)piperidin-1-yl]urea.

Molecular Properties

Compound Name[2-(3-phenylphenyl)piperidin-1-yl]urea
PubChem CID174486315
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[2-(3-phenylphenyl)piperidin-1-yl]urea
SMILESNC(=O)NN1CCCCC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H21N3O/c19-18(22)20-21-12-5-4-11-17(21)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-3,6-10,13,17H,4-5,11-12H2,(H3,19,20,22)
InChIKeyPOGWNGNKDXRVOY-UHFFFAOYSA-N
XLogP3.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylphenyl)piperidin-1-yl]urea?
The IUPAC name of [2-(3-phenylphenyl)piperidin-1-yl]urea (CID 174486315) is [2-(3-phenylphenyl)piperidin-1-yl]urea.
What is the SMILES notation for [2-(3-phenylphenyl)piperidin-1-yl]urea?
The canonical SMILES for [2-(3-phenylphenyl)piperidin-1-yl]urea is NC(=O)NN1CCCCC1c1cccc(-c2ccccc2)c1.
What is the InChIKey of [2-(3-phenylphenyl)piperidin-1-yl]urea?
The InChIKey is POGWNGNKDXRVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-18(22)20-21-12-5-4-11-17(21)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-3,6-10,13,17H,4-5,11-12H2,(H3,19,20,22).
What are the key properties of [2-(3-phenylphenyl)piperidin-1-yl]urea?
[2-(3-phenylphenyl)piperidin-1-yl]urea has a molecular weight of 295.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylphenyl)piperidin-1-yl]urea is sourced from PubChem (CID 174486315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).