1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone

C14H22N2OS — CID 170151285

IUPAC1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(C(C)C)s2)CC1
InChIInChI=1S/C14H22N2OS/c1-11(2)14-5-4-13(18-14)10-15-6-8-16(9-7-15)12(3)17/h4-5,11H,6-10H2,1-3H3
InChIKeyCNGIMAGLIPVKRX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.54
Rot. Bonds3

About 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 170151285) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID170151285
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(C(C)C)s2)CC1
InChIInChI=1S/C14H22N2OS/c1-11(2)14-5-4-13(18-14)10-15-6-8-16(9-7-15)12(3)17/h4-5,11H,6-10H2,1-3H3
InChIKeyCNGIMAGLIPVKRX-UHFFFAOYSA-N
XLogP2.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 162374363
(3S)-1-[(5-propan-2-ylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 171586281
(2R)-2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79013048
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
N-[(2S)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100133
N-[(2R)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100137
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-hydroxypentan-1-one
CID 79204548
2-methylpropyl 4-[(5-bromothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 55361410
1-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone;sulfane
CID 170978699
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703333
ethyl 4-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine-1-carboxylate
CID 91796041
1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
CID 163356375

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone (CID 170151285) is 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc(C(C)C)s2)CC1.
What is the InChIKey of 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is CNGIMAGLIPVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)14-5-4-13(18-14)10-15-6-8-16(9-7-15)12(3)17/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 266.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 170151285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).