1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea

C18H19Cl2N3O — CID 108992520

IUPAC1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H19Cl2N3O/c19-13-10-14(20)12-16(11-13)22-18(24)21-15-4-6-17(7-5-15)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2,(H2,21,22,24)
InChIKeyFWDNGBJCLVGJSW-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.63
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea

1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 108992520) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
PubChem CID108992520
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H19Cl2N3O/c19-13-10-14(20)12-16(11-13)22-18(24)21-15-4-6-17(7-5-15)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2,(H2,21,22,24)
InChIKeyFWDNGBJCLVGJSW-UHFFFAOYSA-N
XLogP5.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.63
H-Bond Donors ≤ 52
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-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
1-(3-chlorophenyl)-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
CID 1056361
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate
CID 7665105
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
CID 108889200
1-(4-bromo-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992487
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea (CID 108992520) is 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea is O=C(Nc1ccc(N2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is FWDNGBJCLVGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-13-10-14(20)12-16(11-13)22-18(24)21-15-4-6-17(7-5-15)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2,(H2,21,22,24).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea?
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 364.28 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 108992520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).