N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide

C16H22N4O3S — CID 55735282

IUPACN-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)NCc1cccs1
InChIInChI=1S/C16H22N4O3S/c21-14(17-10-13-2-1-9-24-13)11-19-5-7-20(8-6-19)16(23)15(22)18-12-3-4-12/h1-2,9,12H,3-8,10-11H2,(H,17,21)(H,18,22)
InChIKeyBIAZPNYHDQKZJW-UHFFFAOYSA-N
MW350.44 g/mol
LogP-0.21
Rot. Bonds5

About N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 55735282) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID55735282
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)NCc1cccs1
InChIInChI=1S/C16H22N4O3S/c21-14(17-10-13-2-1-9-24-13)11-19-5-7-20(8-6-19)16(23)15(22)18-12-3-4-12/h1-2,9,12H,3-8,10-11H2,(H,17,21)(H,18,22)
InChIKeyBIAZPNYHDQKZJW-UHFFFAOYSA-N
XLogP-0.21
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27071147
2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 137338425
2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 36899945
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 86928319
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
CID 55739363
2-[4-[2-(2-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735509
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735068

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide (CID 55735282) is N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)NCc1cccs1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is BIAZPNYHDQKZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c21-14(17-10-13-2-1-9-24-13)11-19-5-7-20(8-6-19)16(23)15(22)18-12-3-4-12/h1-2,9,12H,3-8,10-11H2,(H,17,21)(H,18,22).
What are the key properties of N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 350.44 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55735282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).