(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone

C28H36FNO4 — CID 130371086

IUPAC(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)Cc2c(F)cccc2C(OC(C)C)C3)ccc1OC(C)C
InChIInChI=1S/C28H36FNO4/c1-18(2)33-24-10-9-20(15-25(24)32-5)27(31)30-13-11-28(12-14-30)16-22-21(7-6-8-23(22)29)26(17-28)34-19(3)4/h6-10,15,18-19,26H,11-14,16-17H2,1-5H3
InChIKeyFOBXSFNCDBCBPC-UHFFFAOYSA-N
MW469.60 g/mol
LogP5.96
Rot. Bonds6

About (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone

(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone (PubChem CID 130371086) has the molecular formula C28H36FNO4 and a molecular weight of 469.60 g/mol. Its IUPAC name is (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
PubChem CID130371086
Molecular FormulaC28H36FNO4
Molecular Weight469.60 g/mol
Exact Mass469.26
IUPAC Name(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)Cc2c(F)cccc2C(OC(C)C)C3)ccc1OC(C)C
InChIInChI=1S/C28H36FNO4/c1-18(2)33-24-10-9-20(15-25(24)32-5)27(31)30-13-11-28(12-14-30)16-22-21(7-6-8-23(22)29)26(17-28)34-19(3)4/h6-10,15,18-19,26H,11-14,16-17H2,1-5H3
InChIKeyFOBXSFNCDBCBPC-UHFFFAOYSA-N
XLogP5.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone (CID 130371086) is (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone is COc1cc(C(=O)N2CCC3(CC2)Cc2c(F)cccc2C(OC(C)C)C3)ccc1OC(C)C.
What is the InChIKey of (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The InChIKey is FOBXSFNCDBCBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FNO4/c1-18(2)33-24-10-9-20(15-25(24)32-5)27(31)30-13-11-28(12-14-30)16-22-21(7-6-8-23(22)29)26(17-28)34-19(3)4/h6-10,15,18-19,26H,11-14,16-17H2,1-5H3.
What are the key properties of (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone has a molecular weight of 469.60 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 130371086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).