1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea

C20H25N3O — CID 108991537

IUPAC1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
SMILESCCN(C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-2-23(19-9-5-3-6-10-19)20(24)21-17-11-13-18(14-12-17)22-15-7-4-8-16-22/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3,(H,21,24)
InChIKeyPXKRGEZQWUSSNB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.74
Rot. Bonds4

About 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea

1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 108991537) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
PubChem CID108991537
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
SMILESCCN(C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-2-23(19-9-5-3-6-10-19)20(24)21-17-11-13-18(14-12-17)22-15-7-4-8-16-22/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3,(H,21,24)
InChIKeyPXKRGEZQWUSSNB-UHFFFAOYSA-N
XLogP4.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953212
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108520940
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109128101
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
1-(4-ethoxyphenyl)-1-ethyl-3-(4-thiomorpholin-4-ylphenyl)urea
CID 154759649
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea (CID 108991537) is 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea is CCN(C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is PXKRGEZQWUSSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-23(19-9-5-3-6-10-19)20(24)21-17-11-13-18(14-12-17)22-15-7-4-8-16-22/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3,(H,21,24).
What are the key properties of 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea?
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 323.44 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 108991537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).