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

C27H40ClFN2O3 — CID 45265113

IUPAC8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(OC)c2C1.Cl
InChIInChI=1S/C27H39FN2O3.ClH/c1-3-14-29(20-8-9-21-22(17-20)24(33-2)11-10-23(21)28)15-6-7-16-30-25(31)18-27(19-26(30)32)12-4-5-13-27;/h10-11,20H,3-9,12-19H2,1-2H3;1H/t20-;/m1./s1
InChIKeyCNFAQYMUXZNLGK-VEIFNGETSA-N
MW495.08 g/mol
LogP5.32
Rot. Bonds9

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

8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (PubChem CID 45265113) has the molecular formula C27H40ClFN2O3 and a molecular weight of 495.08 g/mol. Its IUPAC name is 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

Molecular Properties

Compound Name8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
PubChem CID45265113
Molecular FormulaC27H40ClFN2O3
Molecular Weight495.08 g/mol
Exact Mass494.27
IUPAC Name8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(OC)c2C1.Cl
InChIInChI=1S/C27H39FN2O3.ClH/c1-3-14-29(20-8-9-21-22(17-20)24(33-2)11-10-23(21)28)15-6-7-16-30-25(31)18-27(19-26(30)32)12-4-5-13-27;/h10-11,20H,3-9,12-19H2,1-2H3;1H/t20-;/m1./s1
InChIKeyCNFAQYMUXZNLGK-VEIFNGETSA-N
XLogP5.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.08
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The IUPAC name of 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (CID 45265113) is 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.
What is the SMILES notation for 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The canonical SMILES for 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(OC)c2C1.Cl.
What is the InChIKey of 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The InChIKey is CNFAQYMUXZNLGK-VEIFNGETSA-N. The full InChI is InChI=1S/C27H39FN2O3.ClH/c1-3-14-29(20-8-9-21-22(17-20)24(33-2)11-10-23(21)28)15-6-7-16-30-25(31)18-27(19-26(30)32)12-4-5-13-27;/h10-11,20H,3-9,12-19H2,1-2H3;1H/t20-;/m1./s1.
What are the key properties of 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride has a molecular weight of 495.08 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is sourced from PubChem (CID 45265113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).