(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone

C16H18N2OS — CID 757483

IUPAC(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(15-7-4-12-20-15)18-10-8-17(9-11-18)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyLWRIUWKPFSDWBI-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.71
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 757483) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID757483
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(15-7-4-12-20-15)18-10-8-17(9-11-18)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyLWRIUWKPFSDWBI-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 757483) is (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is LWRIUWKPFSDWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(15-7-4-12-20-15)18-10-8-17(9-11-18)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2.
What are the key properties of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 286.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 757483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).