1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

C21H26F3N3O2 — CID 126696318

IUPAC1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCCN1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H26F3N3O2/c1-2-10-26-11-8-18(9-12-26)27(15-19-7-4-13-29-19)20(28)25-17-6-3-5-16(14-17)21(22,23)24/h3-7,13-14,18H,2,8-12,15H2,1H3,(H,25,28)
InChIKeyBFGIYZZPFRGARH-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.21
Rot. Bonds6

About 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 126696318) has the molecular formula C21H26F3N3O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID126696318
Molecular FormulaC21H26F3N3O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC Name1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCCN1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H26F3N3O2/c1-2-10-26-11-8-18(9-12-26)27(15-19-7-4-13-29-19)20(28)25-17-6-3-5-16(14-17)21(22,23)24/h3-7,13-14,18H,2,8-12,15H2,1H3,(H,25,28)
InChIKeyBFGIYZZPFRGARH-UHFFFAOYSA-N
XLogP5.21
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl furanyl fentanyl
CID 42853213
Furanylfentanyl
CID 13653606
4-Fluorofuranyl fentanyl
CID 91825762
3-Methylfuranylfentanyl
CID 13653754
8-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376215
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409083
1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409089
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409145
5-(2-Furylmethyl)-1-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 3546592
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
ortho-Fluorofuranyl fentanyl (N-(2-fluorophenyl)-N-(1-phenethylpiperidin-4-yl)furan-2-carboxamide)
CID 13653679

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 126696318) is 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea is CCCN1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is BFGIYZZPFRGARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2/c1-2-10-26-11-8-18(9-12-26)27(15-19-7-4-13-29-19)20(28)25-17-6-3-5-16(14-17)21(22,23)24/h3-7,13-14,18H,2,8-12,15H2,1H3,(H,25,28).
What are the key properties of 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 409.45 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 126696318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).