N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide

C12H19N3OS — CID 43162389

IUPACN-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-14(8-11-2-7-17-10-11)12(16)9-15-5-3-13-4-6-15/h2,7,10,13H,3-6,8-9H2,1H3
InChIKeyABDYVSAMEXAKNK-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.61
Rot. Bonds4

About N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 43162389) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID43162389
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-14(8-11-2-7-17-10-11)12(16)9-15-5-3-13-4-6-15/h2,7,10,13H,3-6,8-9H2,1H3
InChIKeyABDYVSAMEXAKNK-UHFFFAOYSA-N
XLogP0.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
2-(4-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62654113
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 154900256
N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60940005
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137287

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide (CID 43162389) is N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is ABDYVSAMEXAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14(8-11-2-7-17-10-11)12(16)9-15-5-3-13-4-6-15/h2,7,10,13H,3-6,8-9H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 43162389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).