6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C20H21N3O3 — CID 108735032

IUPAC6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cnccn3)CC1)O2
InChIInChI=1S/C20H21N3O3/c1-13-9-15-17(24)11-20(26-18(15)10-14(13)2)3-7-23(8-4-20)19(25)16-12-21-5-6-22-16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyYXHSEXGMNROWGI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.73
Rot. Bonds1

About 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735032) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735032
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cnccn3)CC1)O2
InChIInChI=1S/C20H21N3O3/c1-13-9-15-17(24)11-20(26-18(15)10-14(13)2)3-7-23(8-4-20)19(25)16-12-21-5-6-22-16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyYXHSEXGMNROWGI-UHFFFAOYSA-N
XLogP2.73
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
6-chloro-7-methyl-1'-(pyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735231
6,7-dimethyl-1'-(3-pyrimidin-4-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 68977663
1'-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758276
6,7-dimethyl-1'-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69072990
1'-[2-(2-methoxyethoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734952
6-chloro-1'-(3,4-dimethoxybenzoyl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758412
1'-(2H-benzotriazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
CID 69074028
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
1'-[2-(4-chloro-3-methylphenoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758251

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735032) is 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cnccn3)CC1)O2.
What is the InChIKey of 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is YXHSEXGMNROWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-9-15-17(24)11-20(26-18(15)10-14(13)2)3-7-23(8-4-20)19(25)16-12-21-5-6-22-16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 351.41 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).