1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone

C17H28N2O4 — CID 110159725

IUPAC1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[C@@]12CCCO2
InChIInChI=1S/C17H28N2O4/c1-13(20)18-8-4-14(5-9-18)16(21)19-10-7-17(6-3-11-23-17)15(12-19)22-2/h14-15H,3-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyKNKGRPAXUPUPDB-RDJZCZTQSA-N
MW324.42 g/mol
LogP1.04
Rot. Bonds2

About 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone

1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110159725) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
PubChem CID110159725
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[C@@]12CCCO2
InChIInChI=1S/C17H28N2O4/c1-13(20)18-8-4-14(5-9-18)16(21)19-10-7-17(6-3-11-23-17)15(12-19)22-2/h14-15H,3-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyKNKGRPAXUPUPDB-RDJZCZTQSA-N
XLogP1.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
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-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 110156101
2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110156509
1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone
CID 110156309
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
CID 110155717
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110156464
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 110159673
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone (CID 110159725) is 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone is CO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[C@@]12CCCO2.
What is the InChIKey of 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is KNKGRPAXUPUPDB-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-13(20)18-8-4-14(5-9-18)16(21)19-10-7-17(6-3-11-23-17)15(12-19)22-2/h14-15H,3-12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110159725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).