1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea

C21H26ClN3O2 — CID 71625710

IUPAC1-(4-chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
SMILESC1CCN(CC1)CCCOC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl
InChIInChI=1S/C21H26ClN3O2/c22-17-5-7-18(8-6-17)23-21(26)24-19-9-11-20(12-10-19)27-16-4-15-25-13-2-1-3-14-25/h5-12H,1-4,13-16H2,(H2,23,24,26)
InChIKeyZXMMHDYMQYJAGB-UHFFFAOYSA-N
MW387.90 g/mol
LogP4.30
Rot. Bonds7

About 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea

1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea (PubChem CID 71625710) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
PubChem CID71625710
Molecular FormulaC21H26ClN3O2
Molecular Weight387.90 g/mol
Exact Mass387.17
IUPAC Name1-(4-chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
SMILESC1CCN(CC1)CCCOC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl
InChIInChI=1S/C21H26ClN3O2/c22-17-5-7-18(8-6-17)23-21(26)24-19-9-11-20(12-10-19)27-16-4-15-25-13-2-1-3-14-25/h5-12H,1-4,13-16H2,(H2,23,24,26)
InChIKeyZXMMHDYMQYJAGB-UHFFFAOYSA-N
XLogP4.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity429

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea?
The IUPAC name of 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea (CID 71625710) is 1-(4-chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea is C1CCN(CC1)CCCOC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl.
What is the InChIKey of 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea?
The InChIKey is ZXMMHDYMQYJAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-17-5-7-18(8-6-17)23-21(26)24-19-9-11-20(12-10-19)27-16-4-15-25-13-2-1-3-14-25/h5-12H,1-4,13-16H2,(H2,23,24,26).
What are the key properties of 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea?
1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea has a molecular weight of 387.90 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea is sourced from PubChem (CID 71625710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).