5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C23H33N3S — CID 74221516

IUPAC5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCN1CCN(C[C@@H](Cc2ccccc2)N2CCc3sccc3C2)CC1
InChIInChI=1S/C23H33N3S/c1-2-10-24-12-14-25(15-13-24)19-22(17-20-6-4-3-5-7-20)26-11-8-23-21(18-26)9-16-27-23/h3-7,9,16,22H,2,8,10-15,17-19H2,1H3/t22-/m1/s1
InChIKeyJRFLUAFHZAKEQW-JOCHJYFZSA-N
MW383.61 g/mol
LogP3.75
Rot. Bonds7

About 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 74221516) has the molecular formula C23H33N3S and a molecular weight of 383.61 g/mol. Its IUPAC name is 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID74221516
Molecular FormulaC23H33N3S
Molecular Weight383.61 g/mol
Exact Mass383.24
IUPAC Name5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCN1CCN(C[C@@H](Cc2ccccc2)N2CCc3sccc3C2)CC1
InChIInChI=1S/C23H33N3S/c1-2-10-24-12-14-25(15-13-24)19-22(17-20-6-4-3-5-7-20)26-11-8-23-21(18-26)9-16-27-23/h3-7,9,16,22H,2,8,10-15,17-19H2,1H3/t22-/m1/s1
InChIKeyJRFLUAFHZAKEQW-JOCHJYFZSA-N
XLogP3.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 74221516) is 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCCN1CCN(C[C@@H](Cc2ccccc2)N2CCc3sccc3C2)CC1.
What is the InChIKey of 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is JRFLUAFHZAKEQW-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H33N3S/c1-2-10-24-12-14-25(15-13-24)19-22(17-20-6-4-3-5-7-20)26-11-8-23-21(18-26)9-16-27-23/h3-7,9,16,22H,2,8,10-15,17-19H2,1H3/t22-/m1/s1.
What are the key properties of 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 383.61 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 74221516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).