3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one

C20H24N2O2 — CID 124959275

IUPAC3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C20H24N2O2/c23-20(12-16-24-19-6-2-1-3-7-19)22-15-4-5-18(22)9-8-17-10-13-21-14-11-17/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-16H2/t18-/m1/s1
InChIKeyGMEGSDOVNQTHRO-GOSISDBHSA-N
MW324.42 g/mol
LogP3.47
Rot. Bonds7

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

3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124959275) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID124959275
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C20H24N2O2/c23-20(12-16-24-19-6-2-1-3-7-19)22-15-4-5-18(22)9-8-17-10-13-21-14-11-17/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-16H2/t18-/m1/s1
InChIKeyGMEGSDOVNQTHRO-GOSISDBHSA-N
XLogP3.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 80676124
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103555
1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996955
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 82354475
N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 124948555

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one (CID 124959275) is 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one is O=C(CCOc1ccccc1)N1CCC[C@@H]1CCc1ccncc1.
What is the InChIKey of 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is GMEGSDOVNQTHRO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(12-16-24-19-6-2-1-3-7-19)22-15-4-5-18(22)9-8-17-10-13-21-14-11-17/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-16H2/t18-/m1/s1.
What are the key properties of 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one?
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124959275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).