N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

C18H27N3O2 — CID 164638678

IUPACN-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c2c1CCCC2)NC[C@H]1CCCC2(CCC2)O1
InChIInChI=1S/C18H27N3O2/c22-17(11-16-14-6-1-2-7-15(14)20-21-16)19-12-13-5-3-8-18(23-13)9-4-10-18/h13H,1-12H2,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyBCKHXXQNTOBZAB-CYBMUJFWSA-N
MW317.43 g/mol
LogP2.44
Rot. Bonds4

About N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (PubChem CID 164638678) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
PubChem CID164638678
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c2c1CCCC2)NC[C@H]1CCCC2(CCC2)O1
InChIInChI=1S/C18H27N3O2/c22-17(11-16-14-6-1-2-7-15(14)20-21-16)19-12-13-5-3-8-18(23-13)9-4-10-18/h13H,1-12H2,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyBCKHXXQNTOBZAB-CYBMUJFWSA-N
XLogP2.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The IUPAC name of N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (CID 164638678) is N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The canonical SMILES for N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is O=C(Cc1n[nH]c2c1CCCC2)NC[C@H]1CCCC2(CCC2)O1.
What is the InChIKey of N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The InChIKey is BCKHXXQNTOBZAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17(11-16-14-6-1-2-7-15(14)20-21-16)19-12-13-5-3-8-18(23-13)9-4-10-18/h13H,1-12H2,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 164638678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).