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

C16H22N2O — CID 127305942

IUPAC2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H22N2O/c19-15(14-7-2-5-11-17-14)18-12-6-10-16(13-18)8-3-1-4-9-16/h2,5,7,11H,1,3-4,6,8-10,12-13H2
InChIKeyALIIXSFULSORGH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.27
Rot. Bonds1

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

2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone (PubChem CID 127305942) 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-2-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
PubChem CID127305942
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H22N2O/c19-15(14-7-2-5-11-17-14)18-12-6-10-16(13-18)8-3-1-4-9-16/h2,5,7,11H,1,3-4,6,8-10,12-13H2
InChIKeyALIIXSFULSORGH-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

[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
7-(pyridine-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131653472
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 97482697
pyridin-2-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134079023
pyridin-2-yl-[(5R)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472293
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone?
The IUPAC name of 2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone (CID 127305942) is 2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone is O=C(c1ccccn1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone?
The InChIKey is ALIIXSFULSORGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-15(14-7-2-5-11-17-14)18-12-6-10-16(13-18)8-3-1-4-9-16/h2,5,7,11H,1,3-4,6,8-10,12-13H2.
What are the key properties of 2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone?
2-azaspiro[5.5]undecan-2-yl(pyridin-2-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-2-yl)methanone is sourced from PubChem (CID 127305942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).