1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea

C20H24F2N4O — CID 55738522

IUPAC1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCC(NC(=O)NCc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N4O/c1-14(17-7-6-16(21)11-18(17)22)25-20(27)24-13-15-5-8-19(23-12-15)26-9-3-2-4-10-26/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H2,24,25,27)
InChIKeyBBRQDWQZMPUPFC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.91
Rot. Bonds5

About 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea

1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 55738522) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID55738522
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCC(NC(=O)NCc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N4O/c1-14(17-7-6-16(21)11-18(17)22)25-20(27)24-13-15-5-8-19(23-12-15)26-9-3-2-4-10-26/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H2,24,25,27)
InChIKeyBBRQDWQZMPUPFC-UHFFFAOYSA-N
XLogP3.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]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

1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94173510
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55794563
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55741523
2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 30832263
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide
CID 55735273
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline
CID 75382671
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94196829
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (CID 55738522) is 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is CC(NC(=O)NCc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is BBRQDWQZMPUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-14(17-7-6-16(21)11-18(17)22)25-20(27)24-13-15-5-8-19(23-12-15)26-9-3-2-4-10-26/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H2,24,25,27).
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 374.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55738522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).