(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C14H19N3O3 — CID 155910832

IUPAC(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCOc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1
InChIInChI=1S/C14H19N3O3/c1-19-13-4-2-3-11(15-13)6-17-5-10-8-20-9-12(7-17)16-14(10)18/h2-4,10,12H,5-9H2,1H3,(H,16,18)/t10-,12+/m1/s1
InChIKeyAAKVXIFJYLQKQM-PWSUYJOCSA-N
MW277.32 g/mol
LogP0.04
Rot. Bonds3

About (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 155910832) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID155910832
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCOc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1
InChIInChI=1S/C14H19N3O3/c1-19-13-4-2-3-11(15-13)6-17-5-10-8-20-9-12(7-17)16-14(10)18/h2-4,10,12H,5-9H2,1H3,(H,16,18)/t10-,12+/m1/s1
InChIKeyAAKVXIFJYLQKQM-PWSUYJOCSA-N
XLogP0.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155916419
(1S,5R)-7-[(2-methoxypyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155914255
(1S,5R)-7-[(1-methylindol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135099797
(1S,5R)-7-[(2,4,6-trimethylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135095847
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
(1S,5R)-7-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135093304
7-[(6-methoxy-2-pyridinyl)methyl]-5,6,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922376
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
CID 114682535
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 155910832) is (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is COc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1.
What is the InChIKey of (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is AAKVXIFJYLQKQM-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-13-4-2-3-11(15-13)6-17-5-10-8-20-9-12(7-17)16-14(10)18/h2-4,10,12H,5-9H2,1H3,(H,16,18)/t10-,12+/m1/s1.
What are the key properties of (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 277.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 155910832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).