[4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone

C17H20N2OS — CID 1246520

IUPAC[4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H20N2OS/c20-17(16-7-4-14-21-16)19-12-10-18(11-13-19)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2
InChIKeyYQDDUQZYJHPLDS-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.75
Rot. Bonds4

About [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1246520) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1246520
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H20N2OS/c20-17(16-7-4-14-21-16)19-12-10-18(11-13-19)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2
InChIKeyYQDDUQZYJHPLDS-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 1246520) is [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YQDDUQZYJHPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(16-7-4-14-21-16)19-12-10-18(11-13-19)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2.
What are the key properties of [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 300.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1246520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).