2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C16H27N3O2S — CID 111489412

IUPAC2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(CO)N1CCN(CC(=O)N(C)Cc2cccs2)CC1
InChIInChI=1S/C16H27N3O2S/c1-3-14(13-20)19-8-6-18(7-9-19)12-16(21)17(2)11-15-5-4-10-22-15/h4-5,10,14,20H,3,6-9,11-13H2,1-2H3
InChIKeyZQSVXJFSUWHMPI-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.10
Rot. Bonds7

About 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 111489412) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID111489412
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(CO)N1CCN(CC(=O)N(C)Cc2cccs2)CC1
InChIInChI=1S/C16H27N3O2S/c1-3-14(13-20)19-8-6-18(7-9-19)12-16(21)17(2)11-15-5-4-10-22-15/h4-5,10,14,20H,3,6-9,11-13H2,1-2H3
InChIKeyZQSVXJFSUWHMPI-UHFFFAOYSA-N
XLogP1.10
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide 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-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17496462
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62372272
N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55362422
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684363
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 111489714
methyl 1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60642529
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 114681156
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 120663923
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17489894
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 111489412) is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CCC(CO)N1CCN(CC(=O)N(C)Cc2cccs2)CC1.
What is the InChIKey of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZQSVXJFSUWHMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-3-14(13-20)19-8-6-18(7-9-19)12-16(21)17(2)11-15-5-4-10-22-15/h4-5,10,14,20H,3,6-9,11-13H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 325.48 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 111489412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).