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

C21H22N2O3 — CID 134792987

IUPAC1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)c1
InChIInChI=1S/C21H22N2O3/c1-26-17-7-4-6-15(13-17)19(24)23-11-9-21(10-12-23)14-16-5-2-3-8-18(16)22-20(21)25/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyOMUGCTYVAXPQPZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds2

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

1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (PubChem CID 134792987) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
PubChem CID134792987
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)c1
InChIInChI=1S/C21H22N2O3/c1-26-17-7-4-6-15(13-17)19(24)23-11-9-21(10-12-23)14-16-5-2-3-8-18(16)22-20(21)25/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyOMUGCTYVAXPQPZ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide
CID 166410535
1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134795243
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134791811
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
CID 134790038

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (CID 134792987) is 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is COc1cccc(C(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)c1.
What is the InChIKey of 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The InChIKey is OMUGCTYVAXPQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-17-7-4-6-15(13-17)19(24)23-11-9-21(10-12-23)14-16-5-2-3-8-18(16)22-20(21)25/h2-8,13H,9-12,14H2,1H3,(H,22,25).
What are the key properties of 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is sourced from PubChem (CID 134792987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).