1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone

C17H20N2OS — CID 757807

IUPAC1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H20N2OS/c1-14(20)15-4-6-16(7-5-15)19-10-8-18(9-11-19)13-17-3-2-12-21-17/h2-7,12H,8-11,13H2,1H3
InChIKeyODXASYHCPKGVPJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 757807) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
PubChem CID757807
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H20N2OS/c1-14(20)15-4-6-16(7-5-15)19-10-8-18(9-11-19)13-17-3-2-12-21-17/h2-7,12H,8-11,13H2,1H3
InChIKeyODXASYHCPKGVPJ-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiofuranylfentanyl
CID 137700027
3-[(4-Methylphenyl)amino]-1-(2-thienyl)-1-propanone
CID 877310
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
CID 800191
3-(4-(Dimethylamino)phenyl)-1-(2-thienyl)-2-propen-1-one
CID 5709353
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone (CID 757807) is 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is ODXASYHCPKGVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-14(20)15-4-6-16(7-5-15)19-10-8-18(9-11-19)13-17-3-2-12-21-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 300.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 757807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).