1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea

C23H23ClN4O — CID 69240356

IUPAC1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H23ClN4O/c24-18-10-12-19(13-11-18)25-23(29)26-20-7-4-6-17(16-20)21-8-5-9-22(27-21)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H2,25,26,29)
InChIKeyWTZBQRKRMSBFEP-UHFFFAOYSA-N
MW406.92 g/mol
LogP6.04
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea (PubChem CID 69240356) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea
PubChem CID69240356
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H23ClN4O/c24-18-10-12-19(13-11-18)25-23(29)26-20-7-4-6-17(16-20)21-8-5-9-22(27-21)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H2,25,26,29)
InChIKeyWTZBQRKRMSBFEP-UHFFFAOYSA-N
XLogP6.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea (CID 69240356) is 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCCC3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea?
The InChIKey is WTZBQRKRMSBFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-18-10-12-19(13-11-18)25-23(29)26-20-7-4-6-17(16-20)21-8-5-9-22(27-21)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H2,25,26,29).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea has a molecular weight of 406.92 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(6-piperidin-1-yl-2-pyridinyl)phenyl]urea is sourced from PubChem (CID 69240356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).