N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide

C12H19N3OS — CID 115171691

IUPACN-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESCc1ccsc1N(C)C(=O)CN1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-10-3-8-17-12(10)14(2)11(16)9-15-6-4-13-5-7-15/h3,8,13H,4-7,9H2,1-2H3
InChIKeyOKFDKKVOWBNKSG-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.92
Rot. Bonds3

About N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide

N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 115171691) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
PubChem CID115171691
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESCc1ccsc1N(C)C(=O)CN1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-10-3-8-17-12(10)14(2)11(16)9-15-6-4-13-5-7-15/h3,8,13H,4-7,9H2,1-2H3
InChIKeyOKFDKKVOWBNKSG-UHFFFAOYSA-N
XLogP0.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide
CID 62833998
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61158983
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-one
CID 116920360
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60939432
N-(3-cyanophenyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62982489
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 54873710
N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 60939844
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide (CID 115171691) is N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide is Cc1ccsc1N(C)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is OKFDKKVOWBNKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10-3-8-17-12(10)14(2)11(16)9-15-6-4-13-5-7-15/h3,8,13H,4-7,9H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide?
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 115171691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).