morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone

C22H25N3O4 — CID 163339790

IUPACmorpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCC2CCCN2C(=O)c2ccccn2)cc1)N1CCOCC1
InChIInChI=1S/C22H25N3O4/c26-21(24-12-14-28-15-13-24)17-6-8-19(9-7-17)29-16-18-4-3-11-25(18)22(27)20-5-1-2-10-23-20/h1-2,5-10,18H,3-4,11-16H2
InChIKeyQVQGDAXFYNJTGE-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.24
Rot. Bonds5

About morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone

morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone (PubChem CID 163339790) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
PubChem CID163339790
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namemorpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCC2CCCN2C(=O)c2ccccn2)cc1)N1CCOCC1
InChIInChI=1S/C22H25N3O4/c26-21(24-12-14-28-15-13-24)17-6-8-19(9-7-17)29-16-18-4-3-11-25(18)22(27)20-5-1-2-10-23-20/h1-2,5-10,18H,3-4,11-16H2
InChIKeyQVQGDAXFYNJTGE-UHFFFAOYSA-N
XLogP2.24
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone (CID 163339790) is morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone is O=C(c1ccc(OCC2CCCN2C(=O)c2ccccn2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone?
The InChIKey is QVQGDAXFYNJTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(24-12-14-28-15-13-24)17-6-8-19(9-7-17)29-16-18-4-3-11-25(18)22(27)20-5-1-2-10-23-20/h1-2,5-10,18H,3-4,11-16H2.
What are the key properties of morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone?
morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone has a molecular weight of 395.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 163339790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).