(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C19H22N2OS — CID 685850

IUPAC(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-3,7-8,14H,4-6,9-13H2
InChIKeyQIHTUOSQGZOUIR-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.59
Rot. Bonds2

About (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 685850) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID685850
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-3,7-8,14H,4-6,9-13H2
InChIKeyQIHTUOSQGZOUIR-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 685850) is (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(s1)CCCC2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is QIHTUOSQGZOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-3,7-8,14H,4-6,9-13H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 326.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 685850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).