(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C21H31N3O3 — CID 131640842

IUPAC(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCN1CCC(C(=O)N2CC3(C2)OCCC3CCOc2ccccn2)CC1
InChIInChI=1S/C21H31N3O3/c1-2-23-11-6-17(7-12-23)20(25)24-15-21(16-24)18(9-14-27-21)8-13-26-19-5-3-4-10-22-19/h3-5,10,17-18H,2,6-9,11-16H2,1H3
InChIKeyYAYRYQRUOMSNDP-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.20
Rot. Bonds6

About (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 131640842) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID131640842
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCN1CCC(C(=O)N2CC3(C2)OCCC3CCOc2ccccn2)CC1
InChIInChI=1S/C21H31N3O3/c1-2-23-11-6-17(7-12-23)20(25)24-15-21(16-24)18(9-14-27-21)8-13-26-19-5-3-4-10-22-19/h3-5,10,17-18H,2,6-9,11-16H2,1H3
InChIKeyYAYRYQRUOMSNDP-UHFFFAOYSA-N
XLogP2.20
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
3-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
CID 124796368
(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124817136
(2-fluorophenyl)-[(8S)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794597
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124793474
(4R)-8-methylsulfonyl-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783917
8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131649042
(2-methylfuran-3-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131651853
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 124796583
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
CID 124793389
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 131640842) is (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is CCN1CCC(C(=O)N2CC3(C2)OCCC3CCOc2ccccn2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is YAYRYQRUOMSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-2-23-11-6-17(7-12-23)20(25)24-15-21(16-24)18(9-14-27-21)8-13-26-19-5-3-4-10-22-19/h3-5,10,17-18H,2,6-9,11-16H2,1H3.
What are the key properties of (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 131640842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).