8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione

C23H31FN2O2 — CID 10620194

IUPAC8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN[C@@H]1CCc2c(F)cccc2C1
InChIInChI=1S/C23H31FN2O2/c24-20-7-5-6-17-14-18(8-9-19(17)20)25-12-3-4-13-26-21(27)15-23(16-22(26)28)10-1-2-11-23/h5-7,18,25H,1-4,8-16H2/t18-/m1/s1
InChIKeyGVWRDZDVMQQZBK-GOSISDBHSA-N
MW386.51 g/mol
LogP3.76
Rot. Bonds6

About 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10620194) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10620194
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN[C@@H]1CCc2c(F)cccc2C1
InChIInChI=1S/C23H31FN2O2/c24-20-7-5-6-17-14-18(8-9-19(17)20)25-12-3-4-13-26-21(27)15-23(16-22(26)28)10-1-2-11-23/h5-7,18,25H,1-4,8-16H2/t18-/m1/s1
InChIKeyGVWRDZDVMQQZBK-GOSISDBHSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10620194) is 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCN[C@@H]1CCc2c(F)cccc2C1.
What is the InChIKey of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is GVWRDZDVMQQZBK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31FN2O2/c24-20-7-5-6-17-14-18(8-9-19(17)20)25-12-3-4-13-26-21(27)15-23(16-22(26)28)10-1-2-11-23/h5-7,18,25H,1-4,8-16H2/t18-/m1/s1.
What are the key properties of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 386.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10620194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).