3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one

C19H28N2O2 — CID 112534338

IUPAC3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC3(CCN(C)CC3)C2)c1
InChIInChI=1S/C19H28N2O2/c1-20-11-8-19(9-12-20)10-13-21(15-19)18(22)7-6-16-4-3-5-17(14-16)23-2/h3-5,14H,6-13,15H2,1-2H3
InChIKeyTUAUFVNYODAWMI-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.57
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one

3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one (PubChem CID 112534338) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
PubChem CID112534338
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC3(CCN(C)CC3)C2)c1
InChIInChI=1S/C19H28N2O2/c1-20-11-8-19(9-12-20)10-13-21(15-19)18(22)7-6-16-4-3-5-17(14-16)23-2/h3-5,14H,6-13,15H2,1-2H3
InChIKeyTUAUFVNYODAWMI-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-9-[3-(3-methoxyphenyl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72874006
1-[3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 167762493
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(3-methoxyphenyl)propan-1-one
CID 91910519
(3S)-3-ethyl-1-[3-(3-methoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 97156084
(6S)-2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97124836
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 128981400
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
1-(2,2-dimethoxy-6-azaspiro[3.4]octan-6-yl)-3-(3-fluorophenyl)propan-1-one
CID 167943333
1-[3-(3-methoxyphenyl)propanoyl]-4-phenylpiperidine-4-carbonitrile
CID 110711553
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3812253

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one (CID 112534338) is 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one is COc1cccc(CCC(=O)N2CCC3(CCN(C)CC3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The InChIKey is TUAUFVNYODAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-20-11-8-19(9-12-20)10-13-21(15-19)18(22)7-6-16-4-3-5-17(14-16)23-2/h3-5,14H,6-13,15H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one is sourced from PubChem (CID 112534338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).