1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H25N3OS — CID 66387768

IUPAC1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCc2sccc2N)CC1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)14(19)18-7-4-11(5-8-18)17-10-13-12(16)6-9-20-13/h6,9,11,17H,4-5,7-8,10,16H2,1-3H3
InChIKeyZZRKPVFOUAKNTF-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 66387768) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID66387768
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCc2sccc2N)CC1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)14(19)18-7-4-11(5-8-18)17-10-13-12(16)6-9-20-13/h6,9,11,17H,4-5,7-8,10,16H2,1-3H3
InChIKeyZZRKPVFOUAKNTF-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66387166
tert-butyl 3-[(3-aminothiophen-2-yl)methylamino]azepane-1-carboxylate
CID 107249463
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62346982
2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
CID 66386729
1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754
2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62339410
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111467106
tert-butyl 4-[(3-methylthiophen-2-yl)methylamino]azepane-1-carboxylate
CID 103982485
1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697955
2-ethyl-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]butan-1-one
CID 78895211
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253580

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 66387768) is 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(NCc2sccc2N)CC1.
What is the InChIKey of 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZZRKPVFOUAKNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,3)14(19)18-7-4-11(5-8-18)17-10-13-12(16)6-9-20-13/h6,9,11,17H,4-5,7-8,10,16H2,1-3H3.
What are the key properties of 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 295.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 66387768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).