[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone

C16H22N2O4 — CID 72870237

IUPAC[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OC)ccn1
InChIInChI=1S/C16H22N2O4/c1-21-13-10-12(19)16(13)4-7-18(8-5-16)15(20)11-3-6-17-14(9-11)22-2/h3,6,9,12-13,19H,4-5,7-8,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyZFXLGXWLFGHPMU-OLZOCXBDSA-N
MW306.36 g/mol
LogP1.09
Rot. Bonds3

About [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone

[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone (PubChem CID 72870237) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
PubChem CID72870237
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OC)ccn1
InChIInChI=1S/C16H22N2O4/c1-21-13-10-12(19)16(13)4-7-18(8-5-16)15(20)11-3-6-17-14(9-11)22-2/h3,6,9,12-13,19H,4-5,7-8,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyZFXLGXWLFGHPMU-OLZOCXBDSA-N
XLogP1.09
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone with MolForge

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Related Compounds

[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone
CID 133117281
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 70729616
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70756940
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56715208
[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone
CID 70714072
(5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 133131614
1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one
CID 72838464
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
(4R)-8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97123973

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone (CID 72870237) is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OC)ccn1.
What is the InChIKey of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is ZFXLGXWLFGHPMU-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-13-10-12(19)16(13)4-7-18(8-5-16)15(20)11-3-6-17-14(9-11)22-2/h3,6,9,12-13,19H,4-5,7-8,10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone?
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 306.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 72870237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).