2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C20H29N3O2 — CID 131653410

IUPAC2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC2(C1)OCCC2CCNc1ccccn1
InChIInChI=1S/C20H29N3O2/c24-19(13-16-5-1-2-6-16)23-14-20(15-23)17(9-12-25-20)8-11-22-18-7-3-4-10-21-18/h3-4,7,10,16-17H,1-2,5-6,8-9,11-15H2,(H,21,22)
InChIKeyGCDLLJVXBGNKGS-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.08
Rot. Bonds6

About 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 131653410) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID131653410
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC2(C1)OCCC2CCNc1ccccn1
InChIInChI=1S/C20H29N3O2/c24-19(13-16-5-1-2-6-16)23-14-20(15-23)17(9-12-25-20)8-11-22-18-7-3-4-10-21-18/h3-4,7,10,16-17H,1-2,5-6,8-9,11-15H2,(H,21,22)
InChIKeyGCDLLJVXBGNKGS-UHFFFAOYSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone with MolForge

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Related Compounds

(6-methyl-3-pyridinyl)-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155863279
N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine
CID 124810752
N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
CID 131657828
3-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
CID 124796368
2-(cyclohexen-1-yl)-1-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792473
2-cyclopropyl-1-[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155866399
1-adamantyl-[8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692091
[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 124816688
2-cyclopentyl-1-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349902
2-(2-fluorophenyl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124793887
(1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131660131
(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124817136

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 131653410) is 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(CC1CCCC1)N1CC2(C1)OCCC2CCNc1ccccn1.
What is the InChIKey of 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is GCDLLJVXBGNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(13-16-5-1-2-6-16)23-14-20(15-23)17(9-12-25-20)8-11-22-18-7-3-4-10-21-18/h3-4,7,10,16-17H,1-2,5-6,8-9,11-15H2,(H,21,22).
What are the key properties of 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 343.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 131653410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).