1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione

C23H22ClNO4 — CID 108735144

IUPAC1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2)c1ccccc1
InChIInChI=1S/C23H22ClNO4/c24-17-6-8-21-18(14-17)20(27)15-23(29-21)10-12-25(13-11-23)22(28)9-7-19(26)16-4-2-1-3-5-16/h1-6,8,14H,7,9-13,15H2
InChIKeyGNSZLINIYPJLDK-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.33
Rot. Bonds4

About 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione

1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione (PubChem CID 108735144) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione.

Molecular Properties

Compound Name1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
PubChem CID108735144
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2)c1ccccc1
InChIInChI=1S/C23H22ClNO4/c24-17-6-8-21-18(14-17)20(27)15-23(29-21)10-12-25(13-11-23)22(28)9-7-19(26)16-4-2-1-3-5-16/h1-6,8,14H,7,9-13,15H2
InChIKeyGNSZLINIYPJLDK-UHFFFAOYSA-N
XLogP4.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108734581
1-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726194
4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 108758337
6-chloro-1'-[4-(2,4-dichlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735075
6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735131
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307
5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 44770169
6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171
1-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108735305
1-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735302
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione?
The IUPAC name of 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione (CID 108735144) is 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione.
What is the SMILES notation for 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione?
The canonical SMILES for 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione is O=C(CCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2)c1ccccc1.
What is the InChIKey of 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione?
The InChIKey is GNSZLINIYPJLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c24-17-6-8-21-18(14-17)20(27)15-23(29-21)10-12-25(13-11-23)22(28)9-7-19(26)16-4-2-1-3-5-16/h1-6,8,14H,7,9-13,15H2.
What are the key properties of 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione?
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione has a molecular weight of 411.89 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione is sourced from PubChem (CID 108735144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).