(3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C19H18N2O4 — CID 99983428

IUPAC(3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCOc1ncccc1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C19H18N2O4/c1-24-16-14(7-4-10-20-16)17(22)21-11-5-9-19(12-21)15-8-3-2-6-13(15)18(23)25-19/h2-4,6-8,10H,5,9,11-12H2,1H3/t19-/m0/s1
InChIKeySJUAAWZVMUFRGG-IBGZPJMESA-N
MW338.36 g/mol
LogP2.39
Rot. Bonds2

About (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

(3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 99983428) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID99983428
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCOc1ncccc1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C19H18N2O4/c1-24-16-14(7-4-10-20-16)17(22)21-11-5-9-19(12-21)15-8-3-2-6-13(15)18(23)25-19/h2-4,6-8,10H,5,9,11-12H2,1H3/t19-/m0/s1
InChIKeySJUAAWZVMUFRGG-IBGZPJMESA-N
XLogP2.39
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 99983428) is (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is COc1ncccc1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12.
What is the InChIKey of (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is SJUAAWZVMUFRGG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-16-14(7-4-10-20-16)17(22)21-11-5-9-19(12-21)15-8-3-2-6-13(15)18(23)25-19/h2-4,6-8,10H,5,9,11-12H2,1H3/t19-/m0/s1.
What are the key properties of (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
(3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 338.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(2-methoxypyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 99983428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).