3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one

C16H22N2O — CID 75495980

IUPAC3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CCC2(CCC2)C1)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-11-14(13-5-2-1-3-6-13)15(19)18-10-9-16(12-18)7-4-8-16/h1-3,5-6,14H,4,7-12,17H2
InChIKeyZXACINVOQBEBAQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one

3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one (PubChem CID 75495980) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one
PubChem CID75495980
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CCC2(CCC2)C1)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-11-14(13-5-2-1-3-6-13)15(19)18-10-9-16(12-18)7-4-8-16/h1-3,5-6,14H,4,7-12,17H2
InChIKeyZXACINVOQBEBAQ-UHFFFAOYSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one (CID 75495980) is 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one is NCC(C(=O)N1CCC2(CCC2)C1)c1ccccc1.
What is the InChIKey of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one?
The InChIKey is ZXACINVOQBEBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-11-14(13-5-2-1-3-6-13)15(19)18-10-9-16(12-18)7-4-8-16/h1-3,5-6,14H,4,7-12,17H2.
What are the key properties of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one?
3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 75495980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).