2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone

C23H27NO3 — CID 90565660

IUPAC2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
SMILESCCOc1ccc(CC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-2-26-20-9-7-18(8-10-20)17-22(25)24-15-13-23(14-16-24)12-11-19-5-3-4-6-21(19)27-23/h3-10H,2,11-17H2,1H3
InChIKeyFCMSCEQGNGNCPL-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone

2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone (PubChem CID 90565660) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
PubChem CID90565660
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
SMILESCCOc1ccc(CC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-2-26-20-9-7-18(8-10-20)17-22(25)24-15-13-23(14-16-24)12-11-19-5-3-4-6-21(19)27-23/h3-10H,2,11-17H2,1H3
InChIKeyFCMSCEQGNGNCPL-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668135
[4-(benzylsulfonylmethyl)phenyl] spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 172793355
(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 121130971
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
CID 95792549
CID 95792549
1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110741626

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone (CID 90565660) is 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone is CCOc1ccc(CC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone?
The InChIKey is FCMSCEQGNGNCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-2-26-20-9-7-18(8-10-20)17-22(25)24-15-13-23(14-16-24)12-11-19-5-3-4-6-21(19)27-23/h3-10H,2,11-17H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone?
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone has a molecular weight of 365.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 90565660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).