(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

C17H24N2O3 — CID 84596637

IUPAC(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCCC(C)Oc1cc(C(=O)N2CCC3(CCOC3)C2)ccn1
InChIInChI=1S/C17H24N2O3/c1-3-13(2)22-15-10-14(4-7-18-15)16(20)19-8-5-17(11-19)6-9-21-12-17/h4,7,10,13H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyNNYRDLNBTYUWEE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds4

About (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 84596637) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID84596637
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCCC(C)Oc1cc(C(=O)N2CCC3(CCOC3)C2)ccn1
InChIInChI=1S/C17H24N2O3/c1-3-13(2)22-15-10-14(4-7-18-15)16(20)19-8-5-17(11-19)6-9-21-12-17/h4,7,10,13H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyNNYRDLNBTYUWEE-UHFFFAOYSA-N
XLogP2.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 84596637) is (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is CCC(C)Oc1cc(C(=O)N2CCC3(CCOC3)C2)ccn1.
What is the InChIKey of (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is NNYRDLNBTYUWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-13(2)22-15-10-14(4-7-18-15)16(20)19-8-5-17(11-19)6-9-21-12-17/h4,7,10,13H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 84596637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).