(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone

C25H31FN2O3 — CID 130371312

IUPAC(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone
SMILESCNCc1cc(C(=O)N2CCC3(CCc4cc(F)ccc4O3)CC2)ccc1OC(C)C
InChIInChI=1S/C25H31FN2O3/c1-17(2)30-22-6-4-19(14-20(22)16-27-3)24(29)28-12-10-25(11-13-28)9-8-18-15-21(26)5-7-23(18)31-25/h4-7,14-15,17,27H,8-13,16H2,1-3H3
InChIKeyHZMPZHCTOUGCSA-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.33
Rot. Bonds5

About (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone

(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone (PubChem CID 130371312) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone.

Molecular Properties

Compound Name(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone
PubChem CID130371312
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone
SMILESCNCc1cc(C(=O)N2CCC3(CCc4cc(F)ccc4O3)CC2)ccc1OC(C)C
InChIInChI=1S/C25H31FN2O3/c1-17(2)30-22-6-4-19(14-20(22)16-27-3)24(29)28-12-10-25(11-13-28)9-8-18-15-21(26)5-7-23(18)31-25/h4-7,14-15,17,27H,8-13,16H2,1-3H3
InChIKeyHZMPZHCTOUGCSA-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone?
The IUPAC name of (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone (CID 130371312) is (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone.
What is the SMILES notation for (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone?
The canonical SMILES for (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone is CNCc1cc(C(=O)N2CCC3(CCc4cc(F)ccc4O3)CC2)ccc1OC(C)C.
What is the InChIKey of (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone?
The InChIKey is HZMPZHCTOUGCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-17(2)30-22-6-4-19(14-20(22)16-27-3)24(29)28-12-10-25(11-13-28)9-8-18-15-21(26)5-7-23(18)31-25/h4-7,14-15,17,27H,8-13,16H2,1-3H3.
What are the key properties of (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone?
(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone has a molecular weight of 426.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone is sourced from PubChem (CID 130371312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).