(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone

C20H19Cl2NO2 — CID 90565621

IUPAC(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C20H19Cl2NO2/c21-15-5-6-17(22)16(13-15)19(24)23-11-9-20(10-12-23)8-7-14-3-1-2-4-18(14)25-20/h1-6,13H,7-12H2
InChIKeyQDWPYAUEXGIPKP-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.99
Rot. Bonds1

About (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone

(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 90565621) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
PubChem CID90565621
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C20H19Cl2NO2/c21-15-5-6-17(22)16(13-15)19(24)23-11-9-20(10-12-23)8-7-14-3-1-2-4-18(14)25-20/h1-6,13H,7-12H2
InChIKeyQDWPYAUEXGIPKP-UHFFFAOYSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 136554118
1'-(4-chloro-2-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734313
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (CID 90565621) is (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is O=C(c1cc(Cl)ccc1Cl)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is QDWPYAUEXGIPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c21-15-5-6-17(22)16(13-15)19(24)23-11-9-20(10-12-23)8-7-14-3-1-2-4-18(14)25-20/h1-6,13H,7-12H2.
What are the key properties of (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 376.28 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 90565621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).