1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea

C24H28ClFN4O — CID 10026395

IUPAC1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H28ClFN4O/c1-27-24(31)28(2)13-14-29-11-9-17(10-12-29)22-16-30(20-6-4-19(26)5-7-20)23-15-18(25)3-8-21(22)23/h3-8,15-17H,9-14H2,1-2H3,(H,27,31)
InChIKeyRGLSIOAWUHXTFV-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.87
Rot. Bonds5

About 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea

1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea (PubChem CID 10026395) has the molecular formula C24H28ClFN4O and a molecular weight of 442.97 g/mol. Its IUPAC name is 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea
PubChem CID10026395
Molecular FormulaC24H28ClFN4O
Molecular Weight442.97 g/mol
Exact Mass442.19
IUPAC Name1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H28ClFN4O/c1-27-24(31)28(2)13-14-29-11-9-17(10-12-29)22-16-30(20-6-4-19(26)5-7-20)23-15-18(25)3-8-21(22)23/h3-8,15-17H,9-14H2,1-2H3,(H,27,31)
InChIKeyRGLSIOAWUHXTFV-UHFFFAOYSA-N
XLogP4.87
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea?
The IUPAC name of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea (CID 10026395) is 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea?
The canonical SMILES for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea is CNC(=O)N(C)CCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea?
The InChIKey is RGLSIOAWUHXTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O/c1-27-24(31)28(2)13-14-29-11-9-17(10-12-29)22-16-30(20-6-4-19(26)5-7-20)23-15-18(25)3-8-21(22)23/h3-8,15-17H,9-14H2,1-2H3,(H,27,31).
What are the key properties of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea?
1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea has a molecular weight of 442.97 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-dimethylurea is sourced from PubChem (CID 10026395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).