1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one

C19H29N3O — CID 95339985

IUPAC1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1ccccn1
InChIInChI=1S/C19H29N3O/c1-2-21-14-6-10-17(21)18-11-7-15-22(18)19(23)12-5-9-16-8-3-4-13-20-16/h3-4,8,13,17-18H,2,5-7,9-12,14-15H2,1H3/t17-,18-/m0/s1
InChIKeyODXGWPRWSXMZEK-ROUUACIJSA-N
MW315.46 g/mol
LogP2.88
Rot. Bonds6

About 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 95339985) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID95339985
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1ccccn1
InChIInChI=1S/C19H29N3O/c1-2-21-14-6-10-17(21)18-11-7-15-22(18)19(23)12-5-9-16-8-3-4-13-20-16/h3-4,8,13,17-18H,2,5-7,9-12,14-15H2,1H3/t17-,18-/m0/s1
InChIKeyODXGWPRWSXMZEK-ROUUACIJSA-N
XLogP2.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one with MolForge

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Related Compounds

1-[(4aR,6R,8aR)-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 97213186
1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 129430293
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1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95321611
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CID 95759735
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
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CID 95290603
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
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CID 124791983
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 95339985) is 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one is CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1ccccn1.
What is the InChIKey of 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is ODXGWPRWSXMZEK-ROUUACIJSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-21-14-6-10-17(21)18-11-7-15-22(18)19(23)12-5-9-16-8-3-4-13-20-16/h3-4,8,13,17-18H,2,5-7,9-12,14-15H2,1H3/t17-,18-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 95339985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).