1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate

C20H29NO2 — CID 134098309

IUPAC1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate
SMILESCC(CN1C(C)CCC12CCCCC2)OC(=O)c1ccccc1
InChIInChI=1S/C20H29NO2/c1-16-11-14-20(12-7-4-8-13-20)21(16)15-17(2)23-19(22)18-9-5-3-6-10-18/h3,5-6,9-10,16-17H,4,7-8,11-15H2,1-2H3
InChIKeyBUQLBGYBPIQSRV-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.42
Rot. Bonds4

About 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate

1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate (PubChem CID 134098309) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate.

Molecular Properties

Compound Name1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate
PubChem CID134098309
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate
SMILESCC(CN1C(C)CCC12CCCCC2)OC(=O)c1ccccc1
InChIInChI=1S/C20H29NO2/c1-16-11-14-20(12-7-4-8-13-20)21(16)15-17(2)23-19(22)18-9-5-3-6-10-18/h3,5-6,9-10,16-17H,4,7-8,11-15H2,1-2H3
InChIKeyBUQLBGYBPIQSRV-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride
CID 138401154
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
[(2S)-1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl] benzoate
CID 92858858
[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate;hydrochloride
CID 66584128
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-yl] 4-methylbenzoate
CID 11870139
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 3-bromobenzoate;hydrochloride
CID 24761391
1-[3-(cyclohexyloxymethyl)-2,5-dioxopyrrolidin-1-yl]propan-2-yl benzoate
CID 118895008
[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-yl] 2-bromobenzoate
CID 7066422
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-methoxybenzoate
CID 3954473
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(2S)-pentan-2-yl] benzoate
CID 101019298
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate
CID 4139253

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate?
The IUPAC name of 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate (CID 134098309) is 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate.
What is the SMILES notation for 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate?
The canonical SMILES for 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate is CC(CN1C(C)CCC12CCCCC2)OC(=O)c1ccccc1.
What is the InChIKey of 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate?
The InChIKey is BUQLBGYBPIQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-16-11-14-20(12-7-4-8-13-20)21(16)15-17(2)23-19(22)18-9-5-3-6-10-18/h3,5-6,9-10,16-17H,4,7-8,11-15H2,1-2H3.
What are the key properties of 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate?
1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate has a molecular weight of 315.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate is sourced from PubChem (CID 134098309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).