1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea

C21H26FN3O2 — CID 23609263

IUPAC1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O2/c1-27-20-4-2-3-19(13-20)24-21(26)23-14-16-9-11-25(12-10-16)15-17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,23,24,26)
InChIKeyIJDYCFNUYPIQSI-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.87
Rot. Bonds6

About 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea

1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea (PubChem CID 23609263) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea
PubChem CID23609263
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O2/c1-27-20-4-2-3-19(13-20)24-21(26)23-14-16-9-11-25(12-10-16)15-17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,23,24,26)
InChIKeyIJDYCFNUYPIQSI-UHFFFAOYSA-N
XLogP3.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea (CID 23609263) is 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea?
The InChIKey is IJDYCFNUYPIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-27-20-4-2-3-19(13-20)24-21(26)23-14-16-9-11-25(12-10-16)15-17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea?
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 371.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 23609263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).