(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane

C16H27N3O2 — CID 110159473

IUPAC(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCCn1cc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)n1
InChIInChI=1S/C16H27N3O2/c1-4-19-11-14(13(2)17-19)10-18-8-6-15(20-3)16(12-18)7-5-9-21-16/h11,15H,4-10,12H2,1-3H3/t15-,16-/m0/s1
InChIKeyMTIDRIVLMLRQCB-HOTGVXAUSA-N
MW293.41 g/mol
LogP1.98
Rot. Bonds4

About (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane

(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 110159473) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID110159473
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCCn1cc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)n1
InChIInChI=1S/C16H27N3O2/c1-4-19-11-14(13(2)17-19)10-18-8-6-15(20-3)16(12-18)7-5-9-21-16/h11,15H,4-10,12H2,1-3H3/t15-,16-/m0/s1
InChIKeyMTIDRIVLMLRQCB-HOTGVXAUSA-N
XLogP1.98
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 110155777
(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110156267
(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
(5S,6S)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110156456
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
4-[[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]benzoic acid
CID 110159544
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 124939634
(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159273
(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 124980177

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane (CID 110159473) is (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane is CCn1cc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)n1.
What is the InChIKey of (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is MTIDRIVLMLRQCB-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-19-11-14(13(2)17-19)10-18-8-6-15(20-3)16(12-18)7-5-9-21-16/h11,15H,4-10,12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane?
(5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 293.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-9-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 110159473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).