6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone

C16H21NO3 — CID 116573137

IUPAC6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CC23CCNCC3)c1
InChIInChI=1S/C16H21NO3/c1-19-12-7-11(8-13(9-12)20-2)15(18)14-10-16(14)3-5-17-6-4-16/h7-9,14,17H,3-6,10H2,1-2H3
InChIKeyQFUUSSMVMNTFMC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds4

About 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone

6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone (PubChem CID 116573137) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
PubChem CID116573137
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CC23CCNCC3)c1
InChIInChI=1S/C16H21NO3/c1-19-12-7-11(8-13(9-12)20-2)15(18)14-10-16(14)3-5-17-6-4-16/h7-9,14,17H,3-6,10H2,1-2H3
InChIKeyQFUUSSMVMNTFMC-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone (CID 116573137) is 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)C2CC23CCNCC3)c1.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
The InChIKey is QFUUSSMVMNTFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-12-7-11(8-13(9-12)20-2)15(18)14-10-16(14)3-5-17-6-4-16/h7-9,14,17H,3-6,10H2,1-2H3.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone?
6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 116573137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).