2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide

C18H23N3O2 — CID 124752869

IUPAC2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide
SMILESO=C(Cn1ncc2ccccc21)N[C@@H]1COC2(CCCCC2)C1
InChIInChI=1S/C18H23N3O2/c22-17(12-21-16-7-3-2-6-14(16)11-19-21)20-15-10-18(23-13-15)8-4-1-5-9-18/h2-3,6-7,11,15H,1,4-5,8-10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyKNLHUMGQGHWHKK-HNNXBMFYSA-N
MW313.40 g/mol
LogP2.64
Rot. Bonds3

About 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide

2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide (PubChem CID 124752869) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide
PubChem CID124752869
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide
SMILESO=C(Cn1ncc2ccccc21)N[C@@H]1COC2(CCCCC2)C1
InChIInChI=1S/C18H23N3O2/c22-17(12-21-16-7-3-2-6-14(16)11-19-21)20-15-10-18(23-13-15)8-4-1-5-9-18/h2-3,6-7,11,15H,1,4-5,8-10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyKNLHUMGQGHWHKK-HNNXBMFYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide (CID 124752869) is 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide is O=C(Cn1ncc2ccccc21)N[C@@H]1COC2(CCCCC2)C1.
What is the InChIKey of 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is KNLHUMGQGHWHKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(12-21-16-7-3-2-6-14(16)11-19-21)20-15-10-18(23-13-15)8-4-1-5-9-18/h2-3,6-7,11,15H,1,4-5,8-10,12-13H2,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide?
2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 124752869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).