1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone

C15H15ClN2O2S — CID 121017511

IUPAC1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C15H15ClN2O2S/c16-13-8-17-4-1-14(13)20-12-2-5-18(9-12)15(19)7-11-3-6-21-10-11/h1,3-4,6,8,10,12H,2,5,7,9H2
InChIKeyLOZZRWSVZCWEKZ-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.02
Rot. Bonds4

About 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone

1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 121017511) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID121017511
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C15H15ClN2O2S/c16-13-8-17-4-1-14(13)20-12-2-5-18(9-12)15(19)7-11-3-6-21-10-11/h1,3-4,6,8,10,12H,2,5,7,9H2
InChIKeyLOZZRWSVZCWEKZ-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100261
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
1-[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121017496
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755466
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
1-[(4S,5S)-4-hydroxy-5-pyridin-3-yloxyazepan-1-yl]-2-thiophen-3-ylethanone
CID 110128586

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone (CID 121017511) is 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is LOZZRWSVZCWEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-13-8-17-4-1-14(13)20-12-2-5-18(9-12)15(19)7-11-3-6-21-10-11/h1,3-4,6,8,10,12H,2,5,7,9H2.
What are the key properties of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 322.82 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 121017511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).