1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C17H25NO3S — CID 164633197

IUPAC1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCC(OC[C@H]2CCCO2)CC1
InChIInChI=1S/C17H25NO3S/c19-17(6-5-16-4-2-12-22-16)18-9-7-14(8-10-18)21-13-15-3-1-11-20-15/h2,4,12,14-15H,1,3,5-11,13H2/t15-/m1/s1
InChIKeyDDCBWTMGZZNSAQ-OAHLLOKOSA-N
MW323.46 g/mol
LogP2.87
Rot. Bonds6

About 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 164633197) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID164633197
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCC(OC[C@H]2CCCO2)CC1
InChIInChI=1S/C17H25NO3S/c19-17(6-5-16-4-2-12-22-16)18-9-7-14(8-10-18)21-13-15-3-1-11-20-15/h2,4,12,14-15H,1,3,5-11,13H2/t15-/m1/s1
InChIKeyDDCBWTMGZZNSAQ-OAHLLOKOSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 164633197) is 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCC(OC[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is DDCBWTMGZZNSAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO3S/c19-17(6-5-16-4-2-12-22-16)18-9-7-14(8-10-18)21-13-15-3-1-11-20-15/h2,4,12,14-15H,1,3,5-11,13H2/t15-/m1/s1.
What are the key properties of 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 323.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 164633197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).