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

C21H24N2O2 — CID 134795243

IUPAC1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCOc1cccc(CN2CCC3(CC2)Cc2ccccc2NC3=O)c1
InChIInChI=1S/C21H24N2O2/c1-25-18-7-4-5-16(13-18)15-23-11-9-21(10-12-23)14-17-6-2-3-8-19(17)22-20(21)24/h2-8,13H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyYEDPGISHBNDRAI-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds3

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

1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (PubChem CID 134795243) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
PubChem CID134795243
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCOc1cccc(CN2CCC3(CC2)Cc2ccccc2NC3=O)c1
InChIInChI=1S/C21H24N2O2/c1-25-18-7-4-5-16(13-18)15-23-11-9-21(10-12-23)14-17-6-2-3-8-19(17)22-20(21)24/h2-8,13H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyYEDPGISHBNDRAI-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
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
1'-[(3-methoxyphenyl)methyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 155902039
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
9-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 146674196
1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341314
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 143341296
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 134795744

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (CID 134795243) is 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is COc1cccc(CN2CCC3(CC2)Cc2ccccc2NC3=O)c1.
What is the InChIKey of 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The InChIKey is YEDPGISHBNDRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-18-7-4-5-16(13-18)15-23-11-9-21(10-12-23)14-17-6-2-3-8-19(17)22-20(21)24/h2-8,13H,9-12,14-15H2,1H3,(H,22,24).
What are the key properties of 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is sourced from PubChem (CID 134795243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).