1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone

C20H21ClN2O2 — CID 58041425

IUPAC1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC2(CCc3cccc(Cl)c3O2)CC1
InChIInChI=1S/C20H21ClN2O2/c21-17-6-3-4-15-7-8-20(25-19(15)17)9-12-23(13-10-20)18(24)14-16-5-1-2-11-22-16/h1-6,11H,7-10,12-14H2
InChIKeyJAJNWBFSHHTQNZ-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.66
Rot. Bonds2

About 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone

1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone (PubChem CID 58041425) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone
PubChem CID58041425
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC2(CCc3cccc(Cl)c3O2)CC1
InChIInChI=1S/C20H21ClN2O2/c21-17-6-3-4-15-7-8-20(25-19(15)17)9-12-23(13-10-20)18(24)14-16-5-1-2-11-22-16/h1-6,11H,7-10,12-14H2
InChIKeyJAJNWBFSHHTQNZ-UHFFFAOYSA-N
XLogP3.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone with MolForge

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Related Compounds

carbon dioxide;1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(4-methyl-2-pyridinyl)ethanone
CID 158675437
2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 58041415
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350
1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
CID 51134010
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-[4-[(1R)-2,2-dichlorocyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95769741
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188

Frequently Asked Questions

What is the IUPAC name of 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone (CID 58041425) is 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCC2(CCc3cccc(Cl)c3O2)CC1.
What is the InChIKey of 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone?
The InChIKey is JAJNWBFSHHTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-6-3-4-15-7-8-20(25-19(15)17)9-12-23(13-10-20)18(24)14-16-5-1-2-11-22-16/h1-6,11H,7-10,12-14H2.
What are the key properties of 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone?
1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone has a molecular weight of 356.85 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 58041425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).