N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide

C18H30N4O2S — CID 134045399

IUPACN-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)NC(C)c2cccs2)CC1
InChIInChI=1S/C18H30N4O2S/c1-4-14(2)19-17(23)12-21-7-9-22(10-8-21)13-18(24)20-15(3)16-6-5-11-25-16/h5-6,11,14-15H,4,7-10,12-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySMKKRIFBVLSSQE-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.46
Rot. Bonds8

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

N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 134045399) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID134045399
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC NameN-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)NC(C)c2cccs2)CC1
InChIInChI=1S/C18H30N4O2S/c1-4-14(2)19-17(23)12-21-7-9-22(10-8-21)13-18(24)20-15(3)16-6-5-11-25-16/h5-6,11,14-15H,4,7-10,12-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySMKKRIFBVLSSQE-UHFFFAOYSA-N
XLogP1.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 52510657
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8687425
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95286898
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide (CID 134045399) is N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(CC(=O)NC(C)c2cccs2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is SMKKRIFBVLSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-4-14(2)19-17(23)12-21-7-9-22(10-8-21)13-18(24)20-15(3)16-6-5-11-25-16/h5-6,11,14-15H,4,7-10,12-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 366.53 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134045399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).