(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C19H28N4O3 — CID 124830917

IUPAC(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCCN1CCC(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)CC1
InChIInChI=1S/C19H28N4O3/c1-2-22-8-3-15(4-9-22)18(24)23-13-19(14-23)11-16(5-10-25-19)26-17-12-20-6-7-21-17/h6-7,12,15-16H,2-5,8-11,13-14H2,1H3/t16-/m1/s1
InChIKeyJXCOANZHDYWBOK-MRXNPFEDSA-N
MW360.46 g/mol
LogP1.35
Rot. Bonds4

About (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124830917) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID124830917
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCCN1CCC(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)CC1
InChIInChI=1S/C19H28N4O3/c1-2-22-8-3-15(4-9-22)18(24)23-13-19(14-23)11-16(5-10-25-19)26-17-12-20-6-7-21-17/h6-7,12,15-16H,2-5,8-11,13-14H2,1H3/t16-/m1/s1
InChIKeyJXCOANZHDYWBOK-MRXNPFEDSA-N
XLogP1.35
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131649493
1,3-oxazol-4-yl-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 133139925
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
cyclopent-3-en-1-yl-[(8S)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787557
(8R)-2-[(5-methylfuran-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124817051
2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131657327
(3-fluorocyclobutyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692751
(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124803732
2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131692687
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155851906
(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124811015
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155847642

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124830917) is (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is CCN1CCC(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is JXCOANZHDYWBOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-2-22-8-3-15(4-9-22)18(24)23-13-19(14-23)11-16(5-10-25-19)26-17-12-20-6-7-21-17/h6-7,12,15-16H,2-5,8-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124830917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).