1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea

C22H28FN3O — CID 46831057

IUPAC1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea
SMILESO=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H28FN3O/c23-21-9-3-2-8-20(21)18-10-12-19(13-11-18)25-22(27)24-14-4-7-17-26-15-5-1-6-16-26/h2-3,8-13H,1,4-7,14-17H2,(H2,24,25,27)
InChIKeyOXIAXPOOKVTTDN-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.88
Rot. Bonds7

About 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea

1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea (PubChem CID 46831057) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea
PubChem CID46831057
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea
SMILESO=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H28FN3O/c23-21-9-3-2-8-20(21)18-10-12-19(13-11-18)25-22(27)24-14-4-7-17-26-15-5-1-6-16-26/h2-3,8-13H,1,4-7,14-17H2,(H2,24,25,27)
InChIKeyOXIAXPOOKVTTDN-UHFFFAOYSA-N
XLogP4.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea (CID 46831057) is 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea is O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
The InChIKey is OXIAXPOOKVTTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c23-21-9-3-2-8-20(21)18-10-12-19(13-11-18)25-22(27)24-14-4-7-17-26-15-5-1-6-16-26/h2-3,8-13H,1,4-7,14-17H2,(H2,24,25,27).
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea has a molecular weight of 369.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea is sourced from PubChem (CID 46831057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).