(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C19H22N2OS — CID 1247773

IUPAC(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1
InChIInChI=1S/C19H22N2OS/c1-16-14-18(15-23-16)19(22)21-12-10-20(11-13-21)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+
InChIKeyNXTVCYMEVGXNHG-VMPITWQZSA-N
MW326.47 g/mol
LogP3.53
Rot. Bonds4

About (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 1247773) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID1247773
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1
InChIInChI=1S/C19H22N2OS/c1-16-14-18(15-23-16)19(22)21-12-10-20(11-13-21)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+
InChIKeyNXTVCYMEVGXNHG-VMPITWQZSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 1247773) is (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is NXTVCYMEVGXNHG-VMPITWQZSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-16-14-18(15-23-16)19(22)21-12-10-20(11-13-21)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+.
What are the key properties of (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 326.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1247773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).