1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C21H21NO4 — CID 7260516

IUPAC1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C21H21NO4/c1-25-18-8-4-3-7-16(18)20(24)22-12-10-21(11-13-22)14-17(23)15-6-2-5-9-19(15)26-21/h2-9H,10-14H2,1H3
InChIKeyGQCOBURYADGRGM-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.34
Rot. Bonds2

About 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260516) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260516
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C21H21NO4/c1-25-18-8-4-3-7-16(18)20(24)22-12-10-21(11-13-22)14-17(23)15-6-2-5-9-19(15)26-21/h2-9H,10-14H2,1H3
InChIKeyGQCOBURYADGRGM-UHFFFAOYSA-N
XLogP3.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mepixanox
CID 65687
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
Flavamine
CID 27443
N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
4-(Spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254503
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
{3-[4-(2-Isopropoxy-phenyl)-piperidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 10409903
N,N-Diethyl-2-hydroxy-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11406708
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260516) is 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is GQCOBURYADGRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-25-18-8-4-3-7-16(18)20(24)22-12-10-21(11-13-22)14-17(23)15-6-2-5-9-19(15)26-21/h2-9H,10-14H2,1H3.
What are the key properties of 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 351.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).