[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone

C25H23F3N2O3 — CID 58550859

IUPAC[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3ccn2C)cc1C(F)(F)F
InChIInChI=1S/C25H23F3N2O3/c1-29-12-9-18-22(29)17-5-3-4-6-20(17)33-24(18)10-13-30(14-11-24)23(31)16-7-8-21(32-2)19(15-16)25(26,27)28/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeySCLVNDCIWIITKO-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.24
Rot. Bonds2

About [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone

[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 58550859) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone
PubChem CID58550859
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3ccn2C)cc1C(F)(F)F
InChIInChI=1S/C25H23F3N2O3/c1-29-12-9-18-22(29)17-5-3-4-6-20(17)33-24(18)10-13-30(14-11-24)23(31)16-7-8-21(32-2)19(15-16)25(26,27)28/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeySCLVNDCIWIITKO-UHFFFAOYSA-N
XLogP5.24
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxy-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 54670653
(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 58551797
[3-methoxy-4-(3-methylbutoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551009
(3-methoxy-4-propan-2-ylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551201
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550915
(3,4-diethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551279
5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)-2-propan-2-yloxybenzonitrile
CID 58551266
[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
CID 58550763
(4-fluoro-2-methoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551550
[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 88859102
(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 58551678
(3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550848

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone (CID 58550859) is [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone is COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3ccn2C)cc1C(F)(F)F.
What is the InChIKey of [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is SCLVNDCIWIITKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-29-12-9-18-22(29)17-5-3-4-6-20(17)33-24(18)10-13-30(14-11-24)23(31)16-7-8-21(32-2)19(15-16)25(26,27)28/h3-9,12,15H,10-11,13-14H2,1-2H3.
What are the key properties of [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?
[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 456.46 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 58550859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).