2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide

C12H19N3OS — CID 79328116

IUPAC2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESNC1CCN(CC(=O)NCc2ccsc2)CC1
InChIInChI=1S/C12H19N3OS/c13-11-1-4-15(5-2-11)8-12(16)14-7-10-3-6-17-9-10/h3,6,9,11H,1-2,4-5,7-8,13H2,(H,14,16)
InChIKeyBYQVUIMQRPGCJM-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.79
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 79328116) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID79328116
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESNC1CCN(CC(=O)NCc2ccsc2)CC1
InChIInChI=1S/C12H19N3OS/c13-11-1-4-15(5-2-11)8-12(16)14-7-10-3-6-17-9-10/h3,6,9,11H,1-2,4-5,7-8,13H2,(H,14,16)
InChIKeyBYQVUIMQRPGCJM-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
2-(4-aminopiperidin-1-yl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 79328654
2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814676
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550206
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
2-(4-aminopiperidin-1-yl)-N-(2,2-dicyclopropylethyl)acetamide
CID 79328582
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 79328116) is 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide is NC1CCN(CC(=O)NCc2ccsc2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is BYQVUIMQRPGCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-11-1-4-15(5-2-11)8-12(16)14-7-10-3-6-17-9-10/h3,6,9,11H,1-2,4-5,7-8,13H2,(H,14,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 79328116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).