2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone

C12H19N3OS — CID 55025197

IUPAC2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ccsc1
InChIInChI=1S/C12H19N3OS/c1-14(8-11-2-7-17-10-11)9-12(16)15-5-3-13-4-6-15/h2,7,10,13H,3-6,8-9H2,1H3
InChIKeyWWVLYMCVFRBGJK-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.61
Rot. Bonds4

About 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone

2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone (PubChem CID 55025197) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
PubChem CID55025197
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ccsc1
InChIInChI=1S/C12H19N3OS/c1-14(8-11-2-7-17-10-11)9-12(16)15-5-3-13-4-6-15/h2,7,10,13H,3-6,8-9H2,1H3
InChIKeyWWVLYMCVFRBGJK-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

2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9054927
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
2-[methyl-[(5-nitrothiophen-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 61018940
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone (CID 55025197) is 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)Cc1ccsc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is WWVLYMCVFRBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14(8-11-2-7-17-10-11)9-12(16)15-5-3-13-4-6-15/h2,7,10,13H,3-6,8-9H2,1H3.
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone?
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone 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 2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 55025197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).