1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one

C23H25NO3 — CID 154587105

IUPAC1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CCc3ccc(-c4ccccc4OC)cc3O2)CC1
InChIInChI=1S/C23H25NO3/c1-3-22(25)24-14-12-23(13-15-24)11-10-17-8-9-18(16-21(17)27-23)19-6-4-5-7-20(19)26-2/h3-9,16H,1,10-15H2,2H3
InChIKeyBVVNAHLTXDWSLX-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.23
Rot. Bonds3

About 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one

1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one (PubChem CID 154587105) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one
PubChem CID154587105
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CCc3ccc(-c4ccccc4OC)cc3O2)CC1
InChIInChI=1S/C23H25NO3/c1-3-22(25)24-14-12-23(13-15-24)11-10-17-8-9-18(16-21(17)27-23)19-6-4-5-7-20(19)26-2/h3-9,16H,1,10-15H2,2H3
InChIKeyBVVNAHLTXDWSLX-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 155667117
1-[4-[2-(4-chlorophenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587269
7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90648661
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757650
3-(2-methoxyphenyl)-5-(1-prop-2-enoylazetidin-3-yl)oxybenzonitrile
CID 147963463
3-[(3S,4S)-3-fluoro-1-prop-2-enoylpiperidin-4-yl]oxy-5-(2-methoxyphenyl)benzonitrile
CID 147621051
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
1-[4-[4-(2-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587085
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
5-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
CID 90565518
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
CID 24736139

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one?
The IUPAC name of 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one (CID 154587105) is 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one?
The canonical SMILES for 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one is C=CC(=O)N1CCC2(CCc3ccc(-c4ccccc4OC)cc3O2)CC1.
What is the InChIKey of 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one?
The InChIKey is BVVNAHLTXDWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-22(25)24-14-12-23(13-15-24)11-10-17-8-9-18(16-21(17)27-23)19-6-4-5-7-20(19)26-2/h3-9,16H,1,10-15H2,2H3.
What are the key properties of 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one?
1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one has a molecular weight of 363.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxyphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]prop-2-en-1-one is sourced from PubChem (CID 154587105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).