1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone

C15H21N3O2 — CID 102541564

IUPAC1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H21N3O2/c1-12(19)18-6-2-3-14(18)13-4-5-15(16-11-13)17-7-9-20-10-8-17/h4-5,11,14H,2-3,6-10H2,1H3
InChIKeyNCLJNBPURGSVCK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.60
Rot. Bonds2

About 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone

1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone (PubChem CID 102541564) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
PubChem CID102541564
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H21N3O2/c1-12(19)18-6-2-3-14(18)13-4-5-15(16-11-13)17-7-9-20-10-8-17/h4-5,11,14H,2-3,6-10H2,1H3
InChIKeyNCLJNBPURGSVCK-UHFFFAOYSA-N
XLogP1.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 124500229
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541520
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540287
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 154778636
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 24685141
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone (CID 102541564) is 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NCLJNBPURGSVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(19)18-6-2-3-14(18)13-4-5-15(16-11-13)17-7-9-20-10-8-17/h4-5,11,14H,2-3,6-10H2,1H3.
What are the key properties of 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone?
1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102541564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).