1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C21H20ClNO4 — CID 7260550

IUPAC1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C21H20ClNO4/c1-26-18-7-6-14(22)12-16(18)20(25)23-10-8-21(9-11-23)13-17(24)15-4-2-3-5-19(15)27-21/h2-7,12H,8-11,13H2,1H3
InChIKeyACEVCRKQUPFNDX-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.99
Rot. Bonds2

About 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260550) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260550
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C21H20ClNO4/c1-26-18-7-6-14(22)12-16(18)20(25)23-10-8-21(9-11-23)13-17(24)15-4-2-3-5-19(15)27-21/h2-7,12H,8-11,13H2,1H3
InChIKeyACEVCRKQUPFNDX-UHFFFAOYSA-N
XLogP3.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260550) is 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ACEVCRKQUPFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-26-18-7-6-14(22)12-16(18)20(25)23-10-8-21(9-11-23)13-17(24)15-4-2-3-5-19(15)27-21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 385.85 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-chloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).