3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one

C12H19N3OS — CID 54869397

IUPAC3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H19N3OS/c13-4-3-12(16)15-7-5-14(6-8-15)10-11-2-1-9-17-11/h1-2,9H,3-8,10,13H2
InChIKeyYJPZTDAMLILPET-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.74
Rot. Bonds4

About 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 54869397) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID54869397
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H19N3OS/c13-4-3-12(16)15-7-5-14(6-8-15)10-11-2-1-9-17-11/h1-2,9H,3-8,10,13H2
InChIKeyYJPZTDAMLILPET-UHFFFAOYSA-N
XLogP0.74
TPSA49.57 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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188
4-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 81075541
2-(2-aminoethoxy)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 79473499
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
3-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 64683895
3-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 119952779
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213
3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834100

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one (CID 54869397) is 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is YJPZTDAMLILPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-4-3-12(16)15-7-5-14(6-8-15)10-11-2-1-9-17-11/h1-2,9H,3-8,10,13H2.
What are the key properties of 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 253.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 54869397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).