[1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid

C17H19FN4O4 — CID 67527269

IUPAC[1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC2(O)Cn3c(=O)ccc4ncc(F)c2c43)CC1
InChIInChI=1S/C17H19FN4O4/c18-11-7-19-12-1-2-13(23)22-9-17(26,14(11)15(12)22)8-21-5-3-10(4-6-21)20-16(24)25/h1-2,7,10,20,26H,3-6,8-9H2,(H,24,25)
InChIKeyALVZUUWFXSFHRV-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.47
Rot. Bonds3

About [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid

[1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid (PubChem CID 67527269) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid
PubChem CID67527269
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name[1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC2(O)Cn3c(=O)ccc4ncc(F)c2c43)CC1
InChIInChI=1S/C17H19FN4O4/c18-11-7-19-12-1-2-13(23)22-9-17(26,14(11)15(12)22)8-21-5-3-10(4-6-21)20-16(24)25/h1-2,7,10,20,26H,3-6,8-9H2,(H,24,25)
InChIKeyALVZUUWFXSFHRV-UHFFFAOYSA-N
XLogP0.47
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid (CID 67527269) is [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(CC2(O)Cn3c(=O)ccc4ncc(F)c2c43)CC1.
What is the InChIKey of [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid?
The InChIKey is ALVZUUWFXSFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c18-11-7-19-12-1-2-13(23)22-9-17(26,14(11)15(12)22)8-21-5-3-10(4-6-21)20-16(24)25/h1-2,7,10,20,26H,3-6,8-9H2,(H,24,25).
What are the key properties of [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid?
[1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid has a molecular weight of 362.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67527269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).