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

C21H22N2O3 — CID 134792412

IUPAC1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one
SMILESCOc1ccc(C(=O)N2CCCCC23Cc2ccccc2NC3=O)cc1
InChIInChI=1S/C21H22N2O3/c1-26-17-10-8-15(9-11-17)19(24)23-13-5-4-12-21(23)14-16-6-2-3-7-18(16)22-20(21)25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25)
InChIKeyUFTSMYURVUMALA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.25
Rot. Bonds2

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

1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one (PubChem CID 134792412) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one
PubChem CID134792412
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one
SMILESCOc1ccc(C(=O)N2CCCCC23Cc2ccccc2NC3=O)cc1
InChIInChI=1S/C21H22N2O3/c1-26-17-10-8-15(9-11-17)19(24)23-13-5-4-12-21(23)14-16-6-2-3-7-18(16)22-20(21)25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25)
InChIKeyUFTSMYURVUMALA-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
(4-methoxyphenyl)-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)methanone
CID 678601
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
CID 115269266
(2,2-dimethyl-1,4-diazepan-1-yl)-(4-methoxyphenyl)methanone
CID 82246402
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
CID 134793777
CID 134793777
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
CID 134790038
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
1-[(4aR,8aS)-5-(4-methoxybenzoyl)-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110138263

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one?
The IUPAC name of 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one (CID 134792412) is 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one?
The canonical SMILES for 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one is COc1ccc(C(=O)N2CCCCC23Cc2ccccc2NC3=O)cc1.
What is the InChIKey of 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one?
The InChIKey is UFTSMYURVUMALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-17-10-8-15(9-11-17)19(24)23-13-5-4-12-21(23)14-16-6-2-3-7-18(16)22-20(21)25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25).
What are the key properties of 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one?
1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one is sourced from PubChem (CID 134792412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).