(5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one

C17H21FN2O2 — CID 124819145

IUPAC(5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@@]12CCN(C)C2=O
InChIInChI=1S/C17H21FN2O2/c1-12-10-20(11-17(12)7-8-19(2)16(17)22)15(21)9-13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3/t12-,17-/m0/s1
InChIKeyPQZJFOCZYBGVCH-SJCJKPOMSA-N
MW304.36 g/mol
LogP1.70
Rot. Bonds2

About (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124819145) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124819145
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name(5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@@]12CCN(C)C2=O
InChIInChI=1S/C17H21FN2O2/c1-12-10-20(11-17(12)7-8-19(2)16(17)22)15(21)9-13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3/t12-,17-/m0/s1
InChIKeyPQZJFOCZYBGVCH-SJCJKPOMSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one (CID 124819145) is (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one is C[C@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@@]12CCN(C)C2=O.
What is the InChIKey of (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is PQZJFOCZYBGVCH-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12-10-20(11-17(12)7-8-19(2)16(17)22)15(21)9-13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3/t12-,17-/m0/s1.
What are the key properties of (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 304.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124819145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).