1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one

C20H26N2O2S — CID 52952419

IUPAC1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12
InChIInChI=1S/C20H26N2O2S/c23-19(18-15-25-20-4-2-1-3-17(18)20)7-10-21-8-5-16(6-9-21)22-11-13-24-14-12-22/h1-4,15-16H,5-14H2
InChIKeyJJZVVWLPZRDMIQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.27
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one

1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 52952419) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID52952419
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12
InChIInChI=1S/C20H26N2O2S/c23-19(18-15-25-20-4-2-1-3-17(18)20)7-10-21-8-5-16(6-9-21)22-11-13-24-14-12-22/h1-4,15-16H,5-14H2
InChIKeyJJZVVWLPZRDMIQ-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one (CID 52952419) is 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one is O=C(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is JJZVVWLPZRDMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-19(18-15-25-20-4-2-1-3-17(18)20)7-10-21-8-5-16(6-9-21)22-11-13-24-14-12-22/h1-4,15-16H,5-14H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 358.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 52952419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).