1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea

C17H18Cl2N4O — CID 89262037

IUPAC1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)nc1)Nc1ccc(C2CCCNC2)cc1Cl
InChIInChI=1S/C17H18Cl2N4O/c18-14-8-11(12-2-1-7-20-9-12)3-5-15(14)23-17(24)22-13-4-6-16(19)21-10-13/h3-6,8,10,12,20H,1-2,7,9H2,(H2,22,23,24)
InChIKeyVPCILIVSNHJPLB-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.50
Rot. Bonds3

About 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea

1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea (PubChem CID 89262037) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea
PubChem CID89262037
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)nc1)Nc1ccc(C2CCCNC2)cc1Cl
InChIInChI=1S/C17H18Cl2N4O/c18-14-8-11(12-2-1-7-20-9-12)3-5-15(14)23-17(24)22-13-4-6-16(19)21-10-13/h3-6,8,10,12,20H,1-2,7,9H2,(H2,22,23,24)
InChIKeyVPCILIVSNHJPLB-UHFFFAOYSA-N
XLogP4.50
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea?
The IUPAC name of 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea (CID 89262037) is 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea?
The canonical SMILES for 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea is O=C(Nc1ccc(Cl)nc1)Nc1ccc(C2CCCNC2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea?
The InChIKey is VPCILIVSNHJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-14-8-11(12-2-1-7-20-9-12)3-5-15(14)23-17(24)22-13-4-6-16(19)21-10-13/h3-6,8,10,12,20H,1-2,7,9H2,(H2,22,23,24).
What are the key properties of 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea?
1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea has a molecular weight of 365.26 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea is sourced from PubChem (CID 89262037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).