1-(1-benzylpiperidin-4-yl)-3-phenylurea

C19H23N3O — CID 4064342

IUPAC1-(1-benzylpiperidin-4-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,20,21,23)
InChIKeyFBRUCPZAISLOOV-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.47
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-phenylurea

1-(1-benzylpiperidin-4-yl)-3-phenylurea (PubChem CID 4064342) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-phenylurea
PubChem CID4064342
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,20,21,23)
InChIKeyFBRUCPZAISLOOV-UHFFFAOYSA-N
XLogP3.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-phenylurea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-phenylurea (CID 4064342) is 1-(1-benzylpiperidin-4-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-phenylurea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-phenylurea?
The InChIKey is FBRUCPZAISLOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,20,21,23).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-phenylurea?
1-(1-benzylpiperidin-4-yl)-3-phenylurea has a molecular weight of 309.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-phenylurea is sourced from PubChem (CID 4064342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).