2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C21H30N2O3 — CID 97418347

IUPAC2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2
InChIInChI=1S/C21H30N2O3/c24-20(12-17-4-1-2-5-17)23-10-7-21(8-11-23)13-19(26-16-21)15-25-18-6-3-9-22-14-18/h3,6,9,14,17,19H,1-2,4-5,7-8,10-13,15-16H2/t19-/m0/s1
InChIKeyOIRYKHOHEQZCCD-IBGZPJMESA-N
MW358.48 g/mol
LogP3.44
Rot. Bonds5

About 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97418347) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID97418347
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2
InChIInChI=1S/C21H30N2O3/c24-20(12-17-4-1-2-5-17)23-10-7-21(8-11-23)13-19(26-16-21)15-25-18-6-3-9-22-14-18/h3,6,9,14,17,19H,1-2,4-5,7-8,10-13,15-16H2/t19-/m0/s1
InChIKeyOIRYKHOHEQZCCD-IBGZPJMESA-N
XLogP3.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658739
furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
[(3R)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97422987
[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 131643944
8-(pyridin-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131646237
(3R)-8-(furan-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418304
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418449
3-(pyridin-3-yloxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852908
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131647418
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836
1-[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenoxyethanone
CID 97418240
(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418316

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 97418347) is 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is O=C(CC1CCCC1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2.
What is the InChIKey of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is OIRYKHOHEQZCCD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20(12-17-4-1-2-5-17)23-10-7-21(8-11-23)13-19(26-16-21)15-25-18-6-3-9-22-14-18/h3,6,9,14,17,19H,1-2,4-5,7-8,10-13,15-16H2/t19-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 358.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97418347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).