(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone

C22H26N2O2 — CID 166265700

IUPAC(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ccc(Cc2ccccc2)cn1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C22H26N2O2/c25-21(24-12-4-9-22(17-24)10-13-26-14-11-22)20-8-7-19(16-23-20)15-18-5-2-1-3-6-18/h1-3,5-8,16H,4,9-15,17H2
InChIKeyYAYNBSVDGNDHKK-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.71
Rot. Bonds3

About (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone

(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone (PubChem CID 166265700) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
PubChem CID166265700
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ccc(Cc2ccccc2)cn1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C22H26N2O2/c25-21(24-12-4-9-22(17-24)10-13-26-14-11-22)20-8-7-19(16-23-20)15-18-5-2-1-3-6-18/h1-3,5-8,16H,4,9-15,17H2
InChIKeyYAYNBSVDGNDHKK-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-phenylsulfanylethanone
CID 91839939
(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 136564099
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 97208911
2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile
CID 121496958
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone (CID 166265700) is (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone is O=C(c1ccc(Cc2ccccc2)cn1)N1CCCC2(CCOCC2)C1.
What is the InChIKey of (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is YAYNBSVDGNDHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21(24-12-4-9-22(17-24)10-13-26-14-11-22)20-8-7-19(16-23-20)15-18-5-2-1-3-6-18/h1-3,5-8,16H,4,9-15,17H2.
What are the key properties of (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 166265700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).