1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea

C19H21FN4O3 — CID 11696413

IUPAC1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESCC(=O)N1CCC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1
InChIInChI=1S/C19H21FN4O3/c1-13(25)24-7-3-5-17(12-24)27-18-9-14(20)8-16(10-18)23-19(26)22-15-4-2-6-21-11-15/h2,4,6,8-11,17H,3,5,7,12H2,1H3,(H2,22,23,26)/t17-/m1/s1
InChIKeyXICDAHNRGPXHTC-QGZVFWFLSA-N
MW372.40 g/mol
LogP3.25
Rot. Bonds4

About 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea

1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea (PubChem CID 11696413) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
PubChem CID11696413
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESCC(=O)N1CCC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1
InChIInChI=1S/C19H21FN4O3/c1-13(25)24-7-3-5-17(12-24)27-18-9-14(20)8-16(10-18)23-19(26)22-15-4-2-6-21-11-15/h2,4,6,8-11,17H,3,5,7,12H2,1H3,(H2,22,23,26)/t17-/m1/s1
InChIKeyXICDAHNRGPXHTC-QGZVFWFLSA-N
XLogP3.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea (CID 11696413) is 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea is CC(=O)N1CCC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1.
What is the InChIKey of 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
The InChIKey is XICDAHNRGPXHTC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-13(25)24-7-3-5-17(12-24)27-18-9-14(20)8-16(10-18)23-19(26)22-15-4-2-6-21-11-15/h2,4,6,8-11,17H,3,5,7,12H2,1H3,(H2,22,23,26)/t17-/m1/s1.
What are the key properties of 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea has a molecular weight of 372.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-1-acetylpiperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 11696413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).