(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone

C18H24N2O4 — CID 138379399

IUPAC(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
SMILESCOc1cccc(O)c1C(=O)N1CCOC2(C[C@H]3CC[C@@H](C2)N3)C1
InChIInChI=1S/C18H24N2O4/c1-23-15-4-2-3-14(21)16(15)17(22)20-7-8-24-18(11-20)9-12-5-6-13(10-18)19-12/h2-4,12-13,19,21H,5-11H2,1H3/t12-,13+,18?
InChIKeySAKUPJZZSKJJAW-NCNPBXTDSA-N
MW332.40 g/mol
LogP1.53
Rot. Bonds2

About (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone

(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone (PubChem CID 138379399) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
PubChem CID138379399
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
SMILESCOc1cccc(O)c1C(=O)N1CCOC2(C[C@H]3CC[C@@H](C2)N3)C1
InChIInChI=1S/C18H24N2O4/c1-23-15-4-2-3-14(21)16(15)17(22)20-7-8-24-18(11-20)9-12-5-6-13(10-18)19-12/h2-4,12-13,19,21H,5-11H2,1H3/t12-,13+,18?
InChIKeySAKUPJZZSKJJAW-NCNPBXTDSA-N
XLogP1.53
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxy-4-methoxyphenyl)-1-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]propan-1-one
CID 138378909
(3-ethoxy-5-hydroxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 137341503
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 157017269
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
(2,6-dimethoxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584599
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
1-[9-(2,6-difluoro-3,5-dimethoxybenzoyl)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]-2-[2-[(4-fluorophenyl)methyl]phenyl]ethanone
CID 171685317
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
The IUPAC name of (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone (CID 138379399) is (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone.
What is the SMILES notation for (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
The canonical SMILES for (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone is COc1cccc(O)c1C(=O)N1CCOC2(C[C@H]3CC[C@@H](C2)N3)C1.
What is the InChIKey of (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
The InChIKey is SAKUPJZZSKJJAW-NCNPBXTDSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-15-4-2-3-14(21)16(15)17(22)20-7-8-24-18(11-20)9-12-5-6-13(10-18)19-12/h2-4,12-13,19,21H,5-11H2,1H3/t12-,13+,18?.
What are the key properties of (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone?
(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone is sourced from PubChem (CID 138379399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).