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

C26H27NO3 — CID 121130971

IUPAC(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C26H27NO3/c1-2-29-23-12-11-19-7-3-5-9-21(19)24(23)25(28)27-17-15-26(16-18-27)14-13-20-8-4-6-10-22(20)30-26/h3-12H,2,13-18H2,1H3
InChIKeyMBTZCVKPIQCEHF-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.24
Rot. Bonds3

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

(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 121130971) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
PubChem CID121130971
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C26H27NO3/c1-2-29-23-12-11-19-7-3-5-9-21(19)24(23)25(28)27-17-15-26(16-18-27)14-13-20-8-4-6-10-22(20)30-26/h3-12H,2,13-18H2,1H3
InChIKeyMBTZCVKPIQCEHF-UHFFFAOYSA-N
XLogP5.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.24
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
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332035
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 97038933
1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142457
4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
CID 166245056
(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907337
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (CID 121130971) is (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is CCOc1ccc2ccccc2c1C(=O)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is MBTZCVKPIQCEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-2-29-23-12-11-19-7-3-5-9-21(19)24(23)25(28)27-17-15-26(16-18-27)14-13-20-8-4-6-10-22(20)30-26/h3-12H,2,13-18H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 401.51 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 121130971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).