morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone

C14H19N3O3 — CID 86820399

IUPACmorpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1)N1CCOCC1
InChIInChI=1S/C14H19N3O3/c18-14(17-4-6-19-7-5-17)13-8-12(10-16-13)20-11-2-1-3-15-9-11/h1-3,9,12-13,16H,4-8,10H2/t12-,13-/m0/s1
InChIKeyDCLLFJDKMQJELW-STQMWFEESA-N
MW277.32 g/mol
LogP0.05
Rot. Bonds3

About morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone

morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone (PubChem CID 86820399) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
PubChem CID86820399
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemorpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1)N1CCOCC1
InChIInChI=1S/C14H19N3O3/c18-14(17-4-6-19-7-5-17)13-8-12(10-16-13)20-11-2-1-3-15-9-11/h1-3,9,12-13,16H,4-8,10H2/t12-,13-/m0/s1
InChIKeyDCLLFJDKMQJELW-STQMWFEESA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone (CID 86820399) is morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@H](Oc2cccnc2)CN1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
The InChIKey is DCLLFJDKMQJELW-STQMWFEESA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(17-4-6-19-7-5-17)13-8-12(10-16-13)20-11-2-1-3-15-9-11/h1-3,9,12-13,16H,4-8,10H2/t12-,13-/m0/s1.
What are the key properties of morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone has a molecular weight of 277.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 86820399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).