1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea

C20H25N3O — CID 5302242

IUPAC1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea
SMILESCN1CCC(CNC(=O)Nc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-23-14-12-20(13-15-23,17-8-4-2-5-9-17)16-21-19(24)22-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H2,21,22,24)
InChIKeyIFSWCUVROCICDI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.47
Rot. Bonds4

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

1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea (PubChem CID 5302242) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea
PubChem CID5302242
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea
SMILESCN1CCC(CNC(=O)Nc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-23-14-12-20(13-15-23,17-8-4-2-5-9-17)16-21-19(24)22-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H2,21,22,24)
InChIKeyIFSWCUVROCICDI-UHFFFAOYSA-N
XLogP3.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
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-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea (CID 5302242) is 1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea is CN1CCC(CNC(=O)Nc2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea?
The InChIKey is IFSWCUVROCICDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-23-14-12-20(13-15-23,17-8-4-2-5-9-17)16-21-19(24)22-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea?
1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea has a molecular weight of 323.44 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-methyl-4-phenylpiperidin-4-yl)methyl]-3-phenylurea is sourced from PubChem (CID 5302242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).