[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone

C21H30N2O3 — CID 124816688

IUPAC[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CCCC2)n1
InChIInChI=1S/C21H30N2O3/c1-16-5-4-8-19(22-16)20(24)23-14-21(15-23)18(10-12-26-21)9-11-25-13-17-6-2-3-7-17/h4-5,8,17-18H,2-3,6-7,9-15H2,1H3/t18-/m1/s1
InChIKeyTWTNXBGQAKUZCG-GOSISDBHSA-N
MW358.48 g/mol
LogP3.22
Rot. Bonds6

About [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone

[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 124816688) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID124816688
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CCCC2)n1
InChIInChI=1S/C21H30N2O3/c1-16-5-4-8-19(22-16)20(24)23-14-21(15-23)18(10-12-26-21)9-11-25-13-17-6-2-3-7-17/h4-5,8,17-18H,2-3,6-7,9-15H2,1H3/t18-/m1/s1
InChIKeyTWTNXBGQAKUZCG-GOSISDBHSA-N
XLogP3.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-2-pyridinyl)-[(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124811684
(2-methylphenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658402
(4-methyl-1,3-oxazol-5-yl)-[8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131657002
(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663304
[8-[(6-methyl-2-pyridinyl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131654987
1,3-benzodioxol-5-yl-[8-[2-(cyclopropylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663962
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155834486
[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 131643624
[8-[2-(cyclopropylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827653
8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 131692117
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 97419705
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone (CID 124816688) is [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CCCC2)n1.
What is the InChIKey of [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is TWTNXBGQAKUZCG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-5-4-8-19(22-16)20(24)23-14-21(15-23)18(10-12-26-21)9-11-25-13-17-6-2-3-7-17/h4-5,8,17-18H,2-3,6-7,9-15H2,1H3/t18-/m1/s1.
What are the key properties of [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone?
[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 358.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 124816688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).