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

C23H31N3O2 — CID 46831056

IUPAC1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea
SMILESCOc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1
InChIInChI=1S/C23H31N3O2/c1-28-22-10-4-3-9-21(22)19-11-13-20(14-12-19)25-23(27)24-15-5-8-18-26-16-6-2-7-17-26/h3-4,9-14H,2,5-8,15-18H2,1H3,(H2,24,25,27)
InChIKeyHSWHSJUFDDMBTI-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.75
Rot. Bonds8

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

1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea (PubChem CID 46831056) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea
PubChem CID46831056
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea
SMILESCOc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1
InChIInChI=1S/C23H31N3O2/c1-28-22-10-4-3-9-21(22)19-11-13-20(14-12-19)25-23(27)24-15-5-8-18-26-16-6-2-7-17-26/h3-4,9-14H,2,5-8,15-18H2,1H3,(H2,24,25,27)
InChIKeyHSWHSJUFDDMBTI-UHFFFAOYSA-N
XLogP4.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.75
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-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
The IUPAC name of 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea (CID 46831056) is 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
The canonical SMILES for 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea is COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
The InChIKey is HSWHSJUFDDMBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-22-10-4-3-9-21(22)19-11-13-20(14-12-19)25-23(27)24-15-5-8-18-26-16-6-2-7-17-26/h3-4,9-14H,2,5-8,15-18H2,1H3,(H2,24,25,27).
What are the key properties of 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea?
1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea has a molecular weight of 381.52 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)phenyl]-3-(4-piperidin-1-ylbutyl)urea is sourced from PubChem (CID 46831056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).