3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one

C21H36N2O2 — CID 71926235

IUPAC3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
SMILESCC(=O)N1CCC(CCC(=O)N2CCCC3(CCCCCC3)C2)CC1
InChIInChI=1S/C21H36N2O2/c1-18(24)22-15-9-19(10-16-22)7-8-20(25)23-14-6-13-21(17-23)11-4-2-3-5-12-21/h19H,2-17H2,1H3
InChIKeyPVQLQLGABZMOBE-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.99
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one

3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one (PubChem CID 71926235) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
PubChem CID71926235
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
SMILESCC(=O)N1CCC(CCC(=O)N2CCCC3(CCCCCC3)C2)CC1
InChIInChI=1S/C21H36N2O2/c1-18(24)22-15-9-19(10-16-22)7-8-20(25)23-14-6-13-21(17-23)11-4-2-3-5-12-21/h19H,2-17H2,1H3
InChIKeyPVQLQLGABZMOBE-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azaspiro[5.5]undecan-2-yl)ethanone
CID 18685206
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 102849644
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
CID 86794751
3-(1-acetylpiperidin-4-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492272
3-cyclohexyl-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 124996744
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
CID 107395786
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107392526
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one (CID 71926235) is 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one is CC(=O)N1CCC(CCC(=O)N2CCCC3(CCCCCC3)C2)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
The InChIKey is PVQLQLGABZMOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-18(24)22-15-9-19(10-16-22)7-8-20(25)23-14-6-13-21(17-23)11-4-2-3-5-12-21/h19H,2-17H2,1H3.
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one has a molecular weight of 348.53 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one is sourced from PubChem (CID 71926235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).