1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone

C16H26N2O4 — CID 110156724

IUPAC1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@]12CCCO2
InChIInChI=1S/C16H26N2O4/c1-12(19)17-7-4-13(5-8-17)15(20)18-10-14(21-2)16(11-18)6-3-9-22-16/h13-14H,3-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyZEHNBLPCCRTDAR-HOCLYGCPSA-N
MW310.39 g/mol
LogP0.65
Rot. Bonds2

About 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone

1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110156724) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
PubChem CID110156724
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@]12CCCO2
InChIInChI=1S/C16H26N2O4/c1-12(19)17-7-4-13(5-8-17)15(20)18-10-14(21-2)16(11-18)6-3-9-22-16/h13-14H,3-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyZEHNBLPCCRTDAR-HOCLYGCPSA-N
XLogP0.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
CID 110159725
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396
2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 110156101
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
CID 110156307
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159672
1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone
CID 110156309
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110159496
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110156509
3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 110159674
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone (CID 110156724) is 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone is CO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@]12CCCO2.
What is the InChIKey of 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ZEHNBLPCCRTDAR-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-12(19)17-7-4-13(5-8-17)15(20)18-10-14(21-2)16(11-18)6-3-9-22-16/h13-14H,3-11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 310.39 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110156724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).