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

C16H28N2O3 — CID 110156307

IUPAC1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
SMILESCO[C@H]1CN(C(=O)CN2CCCCC2)CC[C@@]12CCCO2
InChIInChI=1S/C16H28N2O3/c1-20-14-12-18(10-7-16(14)6-5-11-21-16)15(19)13-17-8-3-2-4-9-17/h14H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyPJYZNRDYWNFVPF-HOCLYGCPSA-N
MW296.41 g/mol
LogP1.27
Rot. Bonds3

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

1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone (PubChem CID 110156307) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
PubChem CID110156307
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
SMILESCO[C@H]1CN(C(=O)CN2CCCCC2)CC[C@@]12CCCO2
InChIInChI=1S/C16H28N2O3/c1-20-14-12-18(10-7-16(14)6-5-11-21-16)15(19)13-17-8-3-2-4-9-17/h14H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyPJYZNRDYWNFVPF-HOCLYGCPSA-N
XLogP1.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
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
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156686
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110156409
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
CID 110155717
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
[(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

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone (CID 110156307) is 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone is CO[C@H]1CN(C(=O)CN2CCCCC2)CC[C@@]12CCCO2.
What is the InChIKey of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone?
The InChIKey is PJYZNRDYWNFVPF-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-20-14-12-18(10-7-16(14)6-5-11-21-16)15(19)13-17-8-3-2-4-9-17/h14H,2-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone?
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone has a molecular weight of 296.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 110156307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).