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

C20H23FN4O3 — CID 10000211

IUPAC1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCC(=O)N1CCCC(Oc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C20H23FN4O3/c1-13-5-6-16(11-22-13)23-20(27)24-17-8-15(21)9-19(10-17)28-18-4-3-7-25(12-18)14(2)26/h5-6,8-11,18H,3-4,7,12H2,1-2H3,(H2,23,24,27)
InChIKeyJMMMGCYZWFLQIJ-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.56
Rot. Bonds4

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

1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 10000211) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID10000211
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCC(=O)N1CCCC(Oc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C20H23FN4O3/c1-13-5-6-16(11-22-13)23-20(27)24-17-8-15(21)9-19(10-17)28-18-4-3-7-25(12-18)14(2)26/h5-6,8-11,18H,3-4,7,12H2,1-2H3,(H2,23,24,27)
InChIKeyJMMMGCYZWFLQIJ-UHFFFAOYSA-N
XLogP3.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[2-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 68769136
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
methyl (3R)-3-[3-fluoro-5-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]phenoxy]piperidine-1-carboxylate
CID 24859079
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-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]methyl]-3-(6-ethynyl-3-pyridinyl)urea
CID 87565631
1-[3-fluoro-5-(1-methylsulfonylpiperidin-3-yl)oxyphenyl]-3-[6-(methoxymethyl)-3-pyridinyl]urea
CID 68984572
tert-butyl (3R)-3-(3-amino-5-fluorophenoxy)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenoxy]pyrrolidine-1-carboxylate;5-isocyanato-2-methylpyridine;methane;oxolane
CID 158358481
1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 142676191
1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11660722

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea (CID 10000211) is 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea is CC(=O)N1CCCC(Oc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)C1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is JMMMGCYZWFLQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13-5-6-16(11-22-13)23-20(27)24-17-8-15(21)9-19(10-17)28-18-4-3-7-25(12-18)14(2)26/h5-6,8-11,18H,3-4,7,12H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea?
1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 386.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 10000211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).