[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone

C20H22N2O4 — CID 99823635

IUPAC[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1-c1ccccn1
InChIInChI=1S/C20H22N2O4/c1-24-18-6-5-15(12-16(18)17-4-2-3-8-21-17)19(23)22-9-11-26-20(13-22)7-10-25-14-20/h2-6,8,12H,7,9-11,13-14H2,1H3/t20-/m1/s1
InChIKeyCPXZAHUBYXKLEI-HXUWFJFHSA-N
MW354.41 g/mol
LogP2.39
Rot. Bonds3

About [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone

[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone (PubChem CID 99823635) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone
PubChem CID99823635
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1-c1ccccn1
InChIInChI=1S/C20H22N2O4/c1-24-18-6-5-15(12-16(18)17-4-2-3-8-21-17)19(23)22-9-11-26-20(13-22)7-10-25-14-20/h2-6,8,12H,7,9-11,13-14H2,1H3/t20-/m1/s1
InChIKeyCPXZAHUBYXKLEI-HXUWFJFHSA-N
XLogP2.39
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone with MolForge

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Related Compounds

1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
CID 120512544
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
N-[1-(hydroxymethyl)cyclopentyl]-4-methoxy-3-pyridin-2-ylbenzamide
CID 110008383
1-[(6S)-4-(pyridine-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97398463
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
pyridin-4-yl-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 134070473
1-[4-(pyridazine-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131663115
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
CID 97373153
2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone
CID 138992709
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173

Frequently Asked Questions

What is the IUPAC name of [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone?
The IUPAC name of [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone (CID 99823635) is [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone is COc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1-c1ccccn1.
What is the InChIKey of [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone?
The InChIKey is CPXZAHUBYXKLEI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-18-6-5-15(12-16(18)17-4-2-3-8-21-17)19(23)22-9-11-26-20(13-22)7-10-25-14-20/h2-6,8,12H,7,9-11,13-14H2,1H3/t20-/m1/s1.
What are the key properties of [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone?
[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone has a molecular weight of 354.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxy-3-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 99823635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).