2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one

C17H22N2O4 — CID 127944204

IUPAC2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one
SMILESCOc1nc(C)ccc1C(=O)N1CCOCC1C1CCCC1=O
InChIInChI=1S/C17H22N2O4/c1-11-6-7-13(16(18-11)22-2)17(21)19-8-9-23-10-14(19)12-4-3-5-15(12)20/h6-7,12,14H,3-5,8-10H2,1-2H3
InChIKeyIIBGODBZRCUSBO-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.61
Rot. Bonds3

About 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one

2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one (PubChem CID 127944204) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one
PubChem CID127944204
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one
SMILESCOc1nc(C)ccc1C(=O)N1CCOCC1C1CCCC1=O
InChIInChI=1S/C17H22N2O4/c1-11-6-7-13(16(18-11)22-2)17(21)19-8-9-23-10-14(19)12-4-3-5-15(12)20/h6-7,12,14H,3-5,8-10H2,1-2H3
InChIKeyIIBGODBZRCUSBO-UHFFFAOYSA-N
XLogP1.61
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one?
The IUPAC name of 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one (CID 127944204) is 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one?
The canonical SMILES for 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one is COc1nc(C)ccc1C(=O)N1CCOCC1C1CCCC1=O.
What is the InChIKey of 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one?
The InChIKey is IIBGODBZRCUSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-6-7-13(16(18-11)22-2)17(21)19-8-9-23-10-14(19)12-4-3-5-15(12)20/h6-7,12,14H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one?
2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one has a molecular weight of 318.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one is sourced from PubChem (CID 127944204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).