6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C22H22ClNO3 — CID 108735213

IUPAC6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)c(C)cc2O3)c1
InChIInChI=1S/C22H22ClNO3/c1-14-4-3-5-16(10-14)21(26)24-8-6-22(7-9-24)13-19(25)17-12-18(23)15(2)11-20(17)27-22/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyLKTJZVNNIVOCSX-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.60
Rot. Bonds1

About 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735213) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735213
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)c(C)cc2O3)c1
InChIInChI=1S/C22H22ClNO3/c1-14-4-3-5-16(10-14)21(26)24-8-6-22(7-9-24)13-19(25)17-12-18(23)15(2)11-20(17)27-22/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyLKTJZVNNIVOCSX-UHFFFAOYSA-N
XLogP4.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-7-methyl-1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735196
6-chloro-7-methyl-1'-(pyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735231
6-chloro-1'-(3,4-dimethoxybenzoyl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758412
6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809038
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
6-chloro-7-methyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69077367
6-chloro-7-methyl-1'-(2-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735233
6-chloro-7-methyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735333
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
1-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108735305
6,7-dimethyl-1'-(3-pyrimidin-4-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 68977663
1'-[2-(4-bromophenyl)acetyl]-6-chloro-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735312

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735213) is 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)c(C)cc2O3)c1.
What is the InChIKey of 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is LKTJZVNNIVOCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-14-4-3-5-16(10-14)21(26)24-8-6-22(7-9-24)13-19(25)17-12-18(23)15(2)11-20(17)27-22/h3-5,10-12H,6-9,13H2,1-2H3.
What are the key properties of 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 383.88 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).