(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone

C17H24N2O3 — CID 91918170

IUPAC(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
SMILESCCOC1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C17H24N2O3/c1-2-21-15-5-12-22-17(13-15)6-10-19(11-7-17)16(20)14-3-8-18-9-4-14/h3-4,8-9,15H,2,5-7,10-13H2,1H3
InChIKeyVDPYLRWHKUUIAD-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.27
Rot. Bonds3

About (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone

(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone (PubChem CID 91918170) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
PubChem CID91918170
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
SMILESCCOC1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C17H24N2O3/c1-2-21-15-5-12-22-17(13-15)6-10-19(11-7-17)16(20)14-3-8-18-9-4-14/h3-4,8-9,15H,2,5-7,10-13H2,1H3
InChIKeyVDPYLRWHKUUIAD-UHFFFAOYSA-N
XLogP2.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
CID 131657708
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
(2-ethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91907679
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 91918141
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone
CID 91907714
(3,5-dimethylphenyl)-[(8R)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124793361
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
CID 91907726
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
The IUPAC name of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone (CID 91918170) is (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone is CCOC1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
The InChIKey is VDPYLRWHKUUIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-21-15-5-12-22-17(13-15)6-10-19(11-7-17)16(20)14-3-8-18-9-4-14/h3-4,8-9,15H,2,5-7,10-13H2,1H3.
What are the key properties of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 91918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).