6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone

C14H18N2O2 — CID 97232335

IUPAC6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18N2O2/c17-13(12-4-3-7-15-10-12)16-8-9-18-14(11-16)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9,11H2
InChIKeyRXXHOCZEXDJPOO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds1

About 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone

6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone (PubChem CID 97232335) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
PubChem CID97232335
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18N2O2/c17-13(12-4-3-7-15-10-12)16-8-9-18-14(11-16)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9,11H2
InChIKeyRXXHOCZEXDJPOO-UHFFFAOYSA-N
XLogP1.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[9-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 97450891
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
(9-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827533
pyridin-3-yl-(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844882
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
CID 172884571
[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 46238799
[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 155870453
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304

Frequently Asked Questions

What is the IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone?
The IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone (CID 97232335) is 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone?
The canonical SMILES for 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone?
The InChIKey is RXXHOCZEXDJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(12-4-3-7-15-10-12)16-8-9-18-14(11-16)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9,11H2.
What are the key properties of 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone?
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 97232335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).