1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea

C19H21Cl2N3O2 — CID 121141708

IUPAC1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
SMILESCOC1CCCN(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-16-3-2-10-24(12-16)15-7-4-13(5-8-15)22-19(25)23-14-6-9-17(20)18(21)11-14/h4-9,11,16H,2-3,10,12H2,1H3,(H2,22,23,25)
InChIKeyIVNPHOFORABEOX-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.25
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea

1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea (PubChem CID 121141708) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
PubChem CID121141708
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
SMILESCOC1CCCN(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-16-3-2-10-24(12-16)15-7-4-13(5-8-15)22-19(25)23-14-6-9-17(20)18(21)11-14/h4-9,11,16H,2-3,10,12H2,1H3,(H2,22,23,25)
InChIKeyIVNPHOFORABEOX-UHFFFAOYSA-N
XLogP5.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141679
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785
(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide
CID 121141603
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 71809789

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea (CID 121141708) is 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea is COC1CCCN(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea?
The InChIKey is IVNPHOFORABEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-26-16-3-2-10-24(12-16)15-7-4-13(5-8-15)22-19(25)23-14-6-9-17(20)18(21)11-14/h4-9,11,16H,2-3,10,12H2,1H3,(H2,22,23,25).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea?
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea has a molecular weight of 394.30 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 121141708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).