3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C19H24N4O2 — CID 52947523

IUPAC3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCn1cc(CN2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)cn1
InChIInChI=1S/C19H24N4O2/c1-22-11-13(10-21-22)12-23-15-5-6-16(23)9-18(8-15)25-17-4-2-3-14(7-17)19(20)24/h2-4,7,10-11,15-16,18H,5-6,8-9,12H2,1H3,(H2,20,24)/t15-,16+,18?
InChIKeyUXSVZYNPXQBZKE-BYICEURKSA-N
MW340.43 g/mol
LogP2.09
Rot. Bonds5

About 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52947523) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52947523
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCn1cc(CN2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)cn1
InChIInChI=1S/C19H24N4O2/c1-22-11-13(10-21-22)12-23-15-5-6-16(23)9-18(8-15)25-17-4-2-3-14(7-17)19(20)24/h2-4,7,10-11,15-16,18H,5-6,8-9,12H2,1H3,(H2,20,24)/t15-,16+,18?
InChIKeyUXSVZYNPXQBZKE-BYICEURKSA-N
XLogP2.09
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52947523) is 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is Cn1cc(CN2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)cn1.
What is the InChIKey of 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is UXSVZYNPXQBZKE-BYICEURKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-11-13(10-21-22)12-23-15-5-6-16(23)9-18(8-15)25-17-4-2-3-14(7-17)19(20)24/h2-4,7,10-11,15-16,18H,5-6,8-9,12H2,1H3,(H2,20,24)/t15-,16+,18?.
What are the key properties of 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-8-[(1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52947523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).