(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane

C16H27N3O2 — CID 110156267

IUPAC(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCCc1nc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)[nH]1
InChIInChI=1S/C16H27N3O2/c1-4-15-17-12(2)13(18-15)10-19-8-6-14(20-3)16(11-19)7-5-9-21-16/h14H,4-11H2,1-3H3,(H,17,18)/t14-,16-/m0/s1
InChIKeyIBVDZHVHYPERGI-HOCLYGCPSA-N
MW293.41 g/mol
LogP2.05
Rot. Bonds4

About (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane

(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 110156267) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID110156267
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCCc1nc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)[nH]1
InChIInChI=1S/C16H27N3O2/c1-4-15-17-12(2)13(18-15)10-19-8-6-14(20-3)16(11-19)7-5-9-21-16/h14H,4-11H2,1-3H3,(H,17,18)/t14-,16-/m0/s1
InChIKeyIBVDZHVHYPERGI-HOCLYGCPSA-N
XLogP2.05
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,6S)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110156456
(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159473
(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 110155777
(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 110159702
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396
(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159382
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 124939739
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 (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane (CID 110156267) is (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane is CCc1nc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)[nH]1.
What is the InChIKey of (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is IBVDZHVHYPERGI-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-15-17-12(2)13(18-15)10-19-8-6-14(20-3)16(11-19)7-5-9-21-16/h14H,4-11H2,1-3H3,(H,17,18)/t14-,16-/m0/s1.
What are the key properties of (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 293.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 110156267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).