1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C22H22ClNO3 — CID 44769674

IUPAC1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)O2
InChIInChI=1S/C22H22ClNO3/c1-14-11-18-19(25)13-22(27-20(18)12-15(14)2)7-9-24(10-8-22)21(26)16-3-5-17(23)6-4-16/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyDCDSXSXMPLIJKG-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.60
Rot. Bonds1

About 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44769674) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44769674
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)O2
InChIInChI=1S/C22H22ClNO3/c1-14-11-18-19(25)13-22(27-20(18)12-15(14)2)7-9-24(10-8-22)21(26)16-3-5-17(23)6-4-16/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyDCDSXSXMPLIJKG-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'-(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
1'-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758276
1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758159
6,7-dimethyl-1'-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69072990
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735213
6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809038
6-chloro-1'-(3-methyl-4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735099
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
1'-(2H-benzotriazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
CID 69074028
6-chloro-7-methyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69077367

Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 44769674) is 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)O2.
What is the InChIKey of 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is DCDSXSXMPLIJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-14-11-18-19(25)13-22(27-20(18)12-15(14)2)7-9-24(10-8-22)21(26)16-3-5-17(23)6-4-16/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[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 1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44769674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).