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

C21H23NO3 — CID 90565595

IUPAC(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C21H23NO3/c1-24-18-8-6-17(7-9-18)20(23)22-14-12-21(13-15-22)11-10-16-4-2-3-5-19(16)25-21/h2-9H,10-15H2,1H3
InChIKeyKQGWBDAQWAGQIA-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.70
Rot. Bonds2

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

(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 90565595) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
PubChem CID90565595
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C21H23NO3/c1-24-18-8-6-17(7-9-18)20(23)22-14-12-21(13-15-22)11-10-16-4-2-3-5-19(16)25-21/h2-9H,10-15H2,1H3
InChIKeyKQGWBDAQWAGQIA-UHFFFAOYSA-N
XLogP3.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
1'-(4-methoxybenzoyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110067196
1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 136554118
5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
(4-methoxyphenyl)-[5-[(4-methoxyphenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]methanone
CID 110067237
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 121130971

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (CID 90565595) is (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is COc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is KQGWBDAQWAGQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-24-18-8-6-17(7-9-18)20(23)22-14-12-21(13-15-22)11-10-16-4-2-3-5-19(16)25-21/h2-9H,10-15H2,1H3.
What are the key properties of (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 337.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 90565595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).