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

C22H25NO2 — CID 90565592

IUPAC(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1C
InChIInChI=1S/C22H25NO2/c1-16-7-8-19(15-17(16)2)21(24)23-13-11-22(12-14-23)10-9-18-5-3-4-6-20(18)25-22/h3-8,15H,9-14H2,1-2H3
InChIKeyPZSIQKJRLADDDE-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.30
Rot. Bonds1

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

(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 90565592) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
PubChem CID90565592
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1C
InChIInChI=1S/C22H25NO2/c1-16-7-8-19(15-17(16)2)21(24)23-13-11-22(12-14-23)10-9-18-5-3-4-6-20(18)25-22/h3-8,15H,9-14H2,1-2H3
InChIKeyPZSIQKJRLADDDE-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
(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
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621
4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
CID 166245056
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione
CID 146126774
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
6,7-dimethyl-1'-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69072990
[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565526
3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one
CID 154838480

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (CID 90565592) is (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is Cc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is PZSIQKJRLADDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16-7-8-19(15-17(16)2)21(24)23-13-11-22(12-14-23)10-9-18-5-3-4-6-20(18)25-22/h3-8,15H,9-14H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 335.45 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 90565592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).