1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea

C25H28FN3O2 — CID 20908160

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C(=O)Nc2ccccc2F)C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H28FN3O2/c1-19-11-12-22(31-19)18-29(25(30)27-24-10-6-5-9-23(24)26)21-13-15-28(16-14-21)17-20-7-3-2-4-8-20/h2-12,21H,13-18H2,1H3,(H,27,30)
InChIKeyONHUUVZRKXHXAQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.43
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea

1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 20908160) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID20908160
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C(=O)Nc2ccccc2F)C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H28FN3O2/c1-19-11-12-22(31-19)18-29(25(30)27-24-10-6-5-9-23(24)26)21-13-15-28(16-14-21)17-20-7-3-2-4-8-20/h2-12,21H,13-18H2,1H3,(H,27,30)
InChIKeyONHUUVZRKXHXAQ-UHFFFAOYSA-N
XLogP5.43
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908150
1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpiperidin-4-yl)-3-(2,3-dimethylphenyl)urea
CID 20908077
1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908125
1-(1-benzylpiperidin-4-yl)-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703394
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 17383976
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 126711712
1-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylsulfanylphenyl)urea
CID 42696418
3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
CID 6625876
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 26322313

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea (CID 20908160) is 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea is Cc1ccc(CN(C(=O)Nc2ccccc2F)C2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is ONHUUVZRKXHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-19-11-12-22(31-19)18-29(25(30)27-24-10-6-5-9-23(24)26)21-13-15-28(16-14-21)17-20-7-3-2-4-8-20/h2-12,21H,13-18H2,1H3,(H,27,30).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 421.52 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 20908160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).