2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone

C15H26N2O3 — CID 110156101

IUPAC2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
SMILESCO[C@H]1CN(CC(=O)N2CCCC2)CC[C@@]12CCCO2
InChIInChI=1S/C15H26N2O3/c1-19-13-11-16(9-6-15(13)5-4-10-20-15)12-14(18)17-7-2-3-8-17/h13H,2-12H2,1H3/t13-,15-/m0/s1
InChIKeyGSJFBFAYPWXWDZ-ZFWWWQNUSA-N
MW282.38 g/mol
LogP0.88
Rot. Bonds3

About 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone

2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 110156101) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
PubChem CID110156101
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
SMILESCO[C@H]1CN(CC(=O)N2CCCC2)CC[C@@]12CCCO2
InChIInChI=1S/C15H26N2O3/c1-19-13-11-16(9-6-15(13)5-4-10-20-15)12-14(18)17-7-2-3-8-17/h13H,2-12H2,1H3/t13-,15-/m0/s1
InChIKeyGSJFBFAYPWXWDZ-ZFWWWQNUSA-N
XLogP0.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
CID 110156307
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110167306
1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
CID 110159725
2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110156509
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125013799
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 135104074
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
4-[[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]benzoic acid
CID 110159544

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone (CID 110156101) is 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone is CO[C@H]1CN(CC(=O)N2CCCC2)CC[C@@]12CCCO2.
What is the InChIKey of 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is GSJFBFAYPWXWDZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-19-13-11-16(9-6-15(13)5-4-10-20-15)12-14(18)17-7-2-3-8-17/h13H,2-12H2,1H3/t13-,15-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone?
2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 282.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110156101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).