2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone

C16H22N2O — CID 54582941

IUPAC2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H22N2O/c19-15(14-6-4-10-17-12-14)18-11-5-9-16(13-18)7-2-1-3-8-16/h4,6,10,12H,1-3,5,7-9,11,13H2
InChIKeyVPLCQCIYEDZEMF-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.27
Rot. Bonds1

About 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone

2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone (PubChem CID 54582941) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
PubChem CID54582941
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H22N2O/c19-15(14-6-4-10-17-12-14)18-11-5-9-16(13-18)7-2-1-3-8-16/h4,6,10,12H,1-3,5,7-9,11,13H2
InChIKeyVPLCQCIYEDZEMF-UHFFFAOYSA-N
XLogP3.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
(2-ethylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845554
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124987721
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone?
The IUPAC name of 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone (CID 54582941) is 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone?
The InChIKey is VPLCQCIYEDZEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-15(14-6-4-10-17-12-14)18-11-5-9-16(13-18)7-2-1-3-8-16/h4,6,10,12H,1-3,5,7-9,11,13H2.
What are the key properties of 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone?
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 54582941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).