1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone

C20H20ClNO3 — CID 126471832

IUPAC1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)OCc1cc(Cl)ccc1O2
InChIInChI=1S/C20H20ClNO3/c21-17-6-7-18-16(13-17)14-24-20(25-18)8-10-22(11-9-20)19(23)12-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2
InChIKeyOYNGEFSCRTUGIJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.81
Rot. Bonds2

About 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone

1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone (PubChem CID 126471832) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone
PubChem CID126471832
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)OCc1cc(Cl)ccc1O2
InChIInChI=1S/C20H20ClNO3/c21-17-6-7-18-16(13-17)14-24-20(25-18)8-10-22(11-9-20)19(23)12-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2
InChIKeyOYNGEFSCRTUGIJ-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 126473582
3-(3,4-dimethoxyphenyl)-1-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylpropan-1-one
CID 126474746
1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
CID 126473308
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986070
14-chloro-1'-(2-phenylacetyl)spiro[2-oxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8,4'-piperidine]-11-one
CID 133069148
2-(5-chloro-1H-indol-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110413074
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one
CID 100760986
2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126471836
2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534858
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 56921578

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone?
The IUPAC name of 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone (CID 126471832) is 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone.
What is the SMILES notation for 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone?
The canonical SMILES for 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCC2(CC1)OCc1cc(Cl)ccc1O2.
What is the InChIKey of 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone?
The InChIKey is OYNGEFSCRTUGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-17-6-7-18-16(13-17)14-24-20(25-18)8-10-22(11-9-20)19(23)12-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2.
What are the key properties of 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone?
1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone has a molecular weight of 357.84 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone is sourced from PubChem (CID 126471832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).