8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one

C24H29N3O2 — CID 143341296

IUPAC8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1cccc(CN2CCC3(CC2)NCN(C/C=C/c2ccccc2)C3=O)c1
InChIInChI=1S/C24H29N3O2/c1-29-22-11-5-9-21(17-22)18-26-15-12-24(13-16-26)23(28)27(19-25-24)14-6-10-20-7-3-2-4-8-20/h2-11,17,25H,12-16,18-19H2,1H3/b10-6+
InChIKeyQPJVCCDRIMASFV-UXBLZVDNSA-N
MW391.52 g/mol
LogP3.13
Rot. Bonds6

About 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one

8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 143341296) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID143341296
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1cccc(CN2CCC3(CC2)NCN(C/C=C/c2ccccc2)C3=O)c1
InChIInChI=1S/C24H29N3O2/c1-29-22-11-5-9-21(17-22)18-26-15-12-24(13-16-26)23(28)27(19-25-24)14-6-10-20-7-3-2-4-8-20/h2-11,17,25H,12-16,18-19H2,1H3/b10-6+
InChIKeyQPJVCCDRIMASFV-UXBLZVDNSA-N
XLogP3.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134795243
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540
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
1'-[(3-methoxyphenyl)methyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 155902039
3-[[(4S)-2-benzyl-4-(3-methoxyphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzoic acid
CID 129457650
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 143341296) is 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one is COc1cccc(CN2CCC3(CC2)NCN(C/C=C/c2ccccc2)C3=O)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is QPJVCCDRIMASFV-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-29-22-11-5-9-21(17-22)18-26-15-12-24(13-16-26)23(28)27(19-25-24)14-6-10-20-7-3-2-4-8-20/h2-11,17,25H,12-16,18-19H2,1H3/b10-6+.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 391.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 143341296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).