2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone

C21H31N3O3 — CID 133141658

IUPAC2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC2(CC1)OCCC2CCOc1cccnc1)N1CCCC1
InChIInChI=1S/C21H31N3O3/c25-20(24-10-1-2-11-24)17-23-12-7-21(8-13-23)18(6-15-27-21)5-14-26-19-4-3-9-22-16-19/h3-4,9,16,18H,1-2,5-8,10-15,17H2
InChIKeyLCKGBLIETZSNDD-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone

2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 133141658) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
PubChem CID133141658
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC2(CC1)OCCC2CCOc1cccnc1)N1CCCC1
InChIInChI=1S/C21H31N3O3/c25-20(24-10-1-2-11-24)17-23-12-7-21(8-13-23)18(6-15-27-21)5-14-26-19-4-3-9-22-16-19/h3-4,9,16,18H,1-2,5-8,10-15,17H2
InChIKeyLCKGBLIETZSNDD-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 133140773
8-(oxan-4-ylmethyl)-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155839117
pyridin-3-yl-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155847310
(3,3-difluorocyclobutyl)-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155828081
4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131677503
2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785982
(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124810202
(2-methylpyrazol-3-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143459
2-cyclopropyl-1-[(4S)-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124791732
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328
(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124779502
2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131642303

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone (CID 133141658) is 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCC2(CC1)OCCC2CCOc1cccnc1)N1CCCC1.
What is the InChIKey of 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is LCKGBLIETZSNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20(24-10-1-2-11-24)17-23-12-7-21(8-13-23)18(6-15-27-21)5-14-26-19-4-3-9-22-16-19/h3-4,9,16,18H,1-2,5-8,10-15,17H2.
What are the key properties of 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 373.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 133141658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).