3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one

C18H27N3O2 — CID 125012369

IUPAC3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C18H27N3O2/c22-18(7-11-20-12-14-23-15-13-20)21-10-1-2-17(21)4-3-16-5-8-19-9-6-16/h5-6,8-9,17H,1-4,7,10-15H2/t17-/m0/s1
InChIKeyVXADAEZBSLLKJT-KRWDZBQOSA-N
MW317.43 g/mol
LogP1.73
Rot. Bonds6

About 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one

3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 125012369) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID125012369
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C18H27N3O2/c22-18(7-11-20-12-14-23-15-13-20)21-10-1-2-17(21)4-3-16-5-8-19-9-6-16/h5-6,8-9,17H,1-4,7,10-15H2/t17-/m0/s1
InChIKeyVXADAEZBSLLKJT-KRWDZBQOSA-N
XLogP1.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996955
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 124959275
1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 125167922
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 124948555
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
CID 124996158
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one (CID 125012369) is 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one is O=C(CCN1CCOCC1)N1CCC[C@H]1CCc1ccncc1.
What is the InChIKey of 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VXADAEZBSLLKJT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(7-11-20-12-14-23-15-13-20)21-10-1-2-17(21)4-3-16-5-8-19-9-6-16/h5-6,8-9,17H,1-4,7,10-15H2/t17-/m0/s1.
What are the key properties of 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 125012369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).