2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide

C12H20N4OS — CID 66387166

IUPAC2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2sccc2N)CC1
InChIInChI=1S/C12H20N4OS/c13-10-3-6-18-11(10)7-15-9-1-4-16(5-2-9)8-12(14)17/h3,6,9,15H,1-2,4-5,7-8,13H2,(H2,14,17)
InChIKeyBLVJQTNQSRPIFE-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.37
Rot. Bonds5

About 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide

2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide (PubChem CID 66387166) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
PubChem CID66387166
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2sccc2N)CC1
InChIInChI=1S/C12H20N4OS/c13-10-3-6-18-11(10)7-15-9-1-4-16(5-2-9)8-12(14)17/h3,6,9,15H,1-2,4-5,7-8,13H2,(H2,14,17)
InChIKeyBLVJQTNQSRPIFE-UHFFFAOYSA-N
XLogP0.37
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-bromothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 115380130
1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 66387768
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
2-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 62759264
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide
CID 43433116
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide (CID 66387166) is 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2sccc2N)CC1.
What is the InChIKey of 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is BLVJQTNQSRPIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c13-10-3-6-18-11(10)7-15-9-1-4-16(5-2-9)8-12(14)17/h3,6,9,15H,1-2,4-5,7-8,13H2,(H2,14,17).
What are the key properties of 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 268.39 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 66387166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).