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

C24H29NO4 — CID 90565605

IUPAC(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1OCC
InChIInChI=1S/C24H29NO4/c1-3-27-21-10-9-19(17-22(21)28-4-2)23(26)25-15-13-24(14-16-25)12-11-18-7-5-6-8-20(18)29-24/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyBJPASLRXBGRPQF-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.48
Rot. Bonds5

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

(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 90565605) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
PubChem CID90565605
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1OCC
InChIInChI=1S/C24H29NO4/c1-3-27-21-10-9-19(17-22(21)28-4-2)23(26)25-15-13-24(14-16-25)12-11-18-7-5-6-8-20(18)29-24/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyBJPASLRXBGRPQF-UHFFFAOYSA-N
XLogP4.48
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 121130971
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
(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
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
(3,4-diethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551279
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
(3-chlorophenyl)-[5-[(2-ethoxyphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]methanone
CID 134795596
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (CID 90565605) is (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is CCOc1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is BJPASLRXBGRPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-3-27-21-10-9-19(17-22(21)28-4-2)23(26)25-15-13-24(14-16-25)12-11-18-7-5-6-8-20(18)29-24/h5-10,17H,3-4,11-16H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 395.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 90565605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).