N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide

C18H29N3O2S — CID 56900851

IUPACN-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CC)C(=O)CC1C(=O)NCCN1Cc1cccs1
InChIInChI=1S/C18H29N3O2S/c1-4-14(5-2)21(6-3)17(22)12-16-18(23)19-9-10-20(16)13-15-8-7-11-24-15/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3,(H,19,23)
InChIKeyQEWHMNPVUXTFPM-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.48
Rot. Bonds8

About N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide

N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide (PubChem CID 56900851) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide
PubChem CID56900851
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CC)C(=O)CC1C(=O)NCCN1Cc1cccs1
InChIInChI=1S/C18H29N3O2S/c1-4-14(5-2)21(6-3)17(22)12-16-18(23)19-9-10-20(16)13-15-8-7-11-24-15/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3,(H,19,23)
InChIKeyQEWHMNPVUXTFPM-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45183443
N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide
CID 42217294
ethyl 4-[[2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45220056
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 95728501
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 42308103
N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45218563
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 26393409
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N-butyl-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95720529
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 56897419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide?
The IUPAC name of N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide (CID 56900851) is N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide is CCC(CC)N(CC)C(=O)CC1C(=O)NCCN1Cc1cccs1.
What is the InChIKey of N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide?
The InChIKey is QEWHMNPVUXTFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-4-14(5-2)21(6-3)17(22)12-16-18(23)19-9-10-20(16)13-15-8-7-11-24-15/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3,(H,19,23).
What are the key properties of N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide?
N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide has a molecular weight of 351.52 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 56900851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).