3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

C16H23NO2S — CID 164635354

IUPAC3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CC[C@H]1CCCO1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H23NO2S/c18-16(4-3-15-2-1-10-19-15)17-8-5-13(6-9-17)14-7-11-20-12-14/h7,11-13,15H,1-6,8-10H2/t15-/m1/s1
InChIKeyYZAWSWQMBGMDLN-OAHLLOKOSA-N
MW293.43 g/mol
LogP3.41
Rot. Bonds4

About 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 164635354) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
PubChem CID164635354
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CC[C@H]1CCCO1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H23NO2S/c18-16(4-3-15-2-1-10-19-15)17-8-5-13(6-9-17)14-7-11-20-12-14/h7,11-13,15H,1-6,8-10H2/t15-/m1/s1
InChIKeyYZAWSWQMBGMDLN-OAHLLOKOSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (CID 164635354) is 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is O=C(CC[C@H]1CCCO1)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is YZAWSWQMBGMDLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-16(4-3-15-2-1-10-19-15)17-8-5-13(6-9-17)14-7-11-20-12-14/h7,11-13,15H,1-6,8-10H2/t15-/m1/s1.
What are the key properties of 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 293.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxolan-2-yl]-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 164635354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).