1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one

C18H25NO2 — CID 164631878

IUPAC1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(2)21-12-9-16(20)19-13-18(10-6-11-18)17(19)15-7-4-3-5-8-15/h3-5,7-8,14,17H,6,9-13H2,1-2H3/t17-/m1/s1
InChIKeyQWWJPNIFTIUDRT-QGZVFWFLSA-N
MW287.40 g/mol
LogP3.56
Rot. Bonds5

About 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one

1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 164631878) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one
PubChem CID164631878
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(2)21-12-9-16(20)19-13-18(10-6-11-18)17(19)15-7-4-3-5-8-15/h3-5,7-8,14,17H,6,9-13H2,1-2H3/t17-/m1/s1
InChIKeyQWWJPNIFTIUDRT-QGZVFWFLSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one (CID 164631878) is 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one is CC(C)OCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1.
What is the InChIKey of 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is QWWJPNIFTIUDRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)21-12-9-16(20)19-13-18(10-6-11-18)17(19)15-7-4-3-5-8-15/h3-5,7-8,14,17H,6,9-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one?
1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 164631878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).