2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid

C13H19N3O3S — CID 43521795

IUPAC2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H19N3O3S/c17-12(14-8-11-2-1-7-20-11)9-15-3-5-16(6-4-15)10-13(18)19/h1-2,7H,3-6,8-10H2,(H,14,17)(H,18,19)
InChIKeyQNIDSMNVRQEJEG-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.07
Rot. Bonds6

About 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid

2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid (PubChem CID 43521795) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
PubChem CID43521795
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H19N3O3S/c17-12(14-8-11-2-1-7-20-11)9-15-3-5-16(6-4-15)10-13(18)19/h1-2,7H,3-6,8-10H2,(H,14,17)(H,18,19)
InChIKeyQNIDSMNVRQEJEG-UHFFFAOYSA-N
XLogP0.07
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide
CID 55735282
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 35011271
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 36899945
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51126982
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27071147
3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid (CID 43521795) is 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid?
The InChIKey is QNIDSMNVRQEJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-12(14-8-11-2-1-7-20-11)9-15-3-5-16(6-4-15)10-13(18)19/h1-2,7H,3-6,8-10H2,(H,14,17)(H,18,19).
What are the key properties of 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid?
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).