1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea

C22H27FN4O3 — CID 68769136

IUPAC1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCC(=O)N1CCCC(Oc2cc(F)cc(CCNC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C22H27FN4O3/c1-15-5-6-19(13-25-15)26-22(29)24-8-7-17-10-18(23)12-21(11-17)30-20-4-3-9-27(14-20)16(2)28/h5-6,10-13,20H,3-4,7-9,14H2,1-2H3,(H2,24,26,29)
InChIKeyRSLNPBSHYBVNDO-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.28
Rot. Bonds6

About 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea

1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 68769136) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID68769136
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCC(=O)N1CCCC(Oc2cc(F)cc(CCNC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C22H27FN4O3/c1-15-5-6-19(13-25-15)26-22(29)24-8-7-17-10-18(23)12-21(11-17)30-20-4-3-9-27(14-20)16(2)28/h5-6,10-13,20H,3-4,7-9,14H2,1-2H3,(H2,24,26,29)
InChIKeyRSLNPBSHYBVNDO-UHFFFAOYSA-N
XLogP3.28
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea with MolForge

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Related Compounds

1-[[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea
CID 68764112
1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 10000211
methyl (3R)-3-[3-fluoro-5-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]phenoxy]piperidine-1-carboxylate
CID 24859079
1-[[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]methyl]-3-(6-ethynyl-3-pyridinyl)urea
CID 87565631
1-[3-(1-ethylsulfonylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66895195
1-[3-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 69328073
1-[3-fluoro-5-(1-propylsulfonylpyrrolidin-3-yl)oxyphenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66894133
1-[3-[1-acetyl-5-(methoxymethyl)pyrrolidin-3-yl]oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 68982755
1-[3-fluoro-5-(1-methylsulfonylpiperidin-3-yl)oxyphenyl]-3-[6-(methoxymethyl)-3-pyridinyl]urea
CID 68984572
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11660722
1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108892033

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea (CID 68769136) is 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea is CC(=O)N1CCCC(Oc2cc(F)cc(CCNC(=O)Nc3ccc(C)nc3)c2)C1.
What is the InChIKey of 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is RSLNPBSHYBVNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-15-5-6-19(13-25-15)26-22(29)24-8-7-17-10-18(23)12-21(11-17)30-20-4-3-9-27(14-20)16(2)28/h5-6,10-13,20H,3-4,7-9,14H2,1-2H3,(H2,24,26,29).
What are the key properties of 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea?
1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 414.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 68769136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).