1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea

C20H23ClFN3O — CID 23609171

IUPAC1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H23ClFN3O/c21-17-7-5-16(6-8-17)14-25-11-9-15(10-12-25)13-23-20(26)24-19-4-2-1-3-18(19)22/h1-8,15H,9-14H2,(H2,23,24,26)
InChIKeyCSZNOPWEPIBFPK-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.51
Rot. Bonds5

About 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea

1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea (PubChem CID 23609171) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea
PubChem CID23609171
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H23ClFN3O/c21-17-7-5-16(6-8-17)14-25-11-9-15(10-12-25)13-23-20(26)24-19-4-2-1-3-18(19)22/h1-8,15H,9-14H2,(H2,23,24,26)
InChIKeyCSZNOPWEPIBFPK-UHFFFAOYSA-N
XLogP4.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea (CID 23609171) is 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea is O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea?
The InChIKey is CSZNOPWEPIBFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-17-7-5-16(6-8-17)14-25-11-9-15(10-12-25)13-23-20(26)24-19-4-2-1-3-18(19)22/h1-8,15H,9-14H2,(H2,23,24,26).
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea?
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea has a molecular weight of 375.88 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 23609171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).