1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea

C23H27ClN4O3 — CID 24945440

IUPAC1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C23H27ClN4O3/c24-18-4-6-19(7-5-18)25-23(30)26-20-3-1-2-17(16-20)22(29)28-10-8-21(9-11-28)27-12-14-31-15-13-27/h1-7,16,21H,8-15H2,(H2,25,26,30)
InChIKeyKUFMOUMGUDMNEJ-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea (PubChem CID 24945440) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea
PubChem CID24945440
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C23H27ClN4O3/c24-18-4-6-19(7-5-18)25-23(30)26-20-3-1-2-17(16-20)22(29)28-10-8-21(9-11-28)27-12-14-31-15-13-27/h1-7,16,21H,8-15H2,(H2,25,26,30)
InChIKeyKUFMOUMGUDMNEJ-UHFFFAOYSA-N
XLogP3.92
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea (CID 24945440) is 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCC(N3CCOCC3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea?
The InChIKey is KUFMOUMGUDMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c24-18-4-6-19(7-5-18)25-23(30)26-20-3-1-2-17(16-20)22(29)28-10-8-21(9-11-28)27-12-14-31-15-13-27/h1-7,16,21H,8-15H2,(H2,25,26,30).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea has a molecular weight of 442.95 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 24945440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).