1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea

C20H25N3O2 — CID 50875367

IUPAC1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
SMILESCN1CCC(Oc2ccc(CNC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-23-13-11-19(12-14-23)25-18-9-7-16(8-10-18)15-21-20(24)22-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H2,21,22,24)
InChIKeyVEHXUFALYAODTJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.48
Rot. Bonds5

About 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea

1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea (PubChem CID 50875367) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
PubChem CID50875367
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
SMILESCN1CCC(Oc2ccc(CNC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-23-13-11-19(12-14-23)25-18-9-7-16(8-10-18)15-21-20(24)22-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H2,21,22,24)
InChIKeyVEHXUFALYAODTJ-UHFFFAOYSA-N
XLogP3.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea (CID 50875367) is 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea is CN1CCC(Oc2ccc(CNC(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea?
The InChIKey is VEHXUFALYAODTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23-13-11-19(12-14-23)25-18-9-7-16(8-10-18)15-21-20(24)22-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea?
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea has a molecular weight of 339.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea is sourced from PubChem (CID 50875367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).