2-(4-ethylpiperazin-1-yl)-N-pentylacetamide

C13H27N3O — CID 108995511

IUPAC2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-3-5-6-7-14-13(17)12-16-10-8-15(4-2)9-11-16/h3-12H2,1-2H3,(H,14,17)
InChIKeyLTNACRUWFSYGTI-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide

2-(4-ethylpiperazin-1-yl)-N-pentylacetamide (PubChem CID 108995511) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
PubChem CID108995511
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-3-5-6-7-14-13(17)12-16-10-8-15(4-2)9-11-16/h3-12H2,1-2H3,(H,14,17)
InChIKeyLTNACRUWFSYGTI-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
2-[7-[2-[[6-(butylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639687
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
CID 78827366
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[7-[2-[[6-(butylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane;formic acid
CID 171639686
2-[7-[2-[2-[2-[[4-(butylamino)-4-oxobutanoyl]amino]ethoxy]ethylamino]-2-oxoethyl]-4-(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177166998

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide (CID 108995511) is 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide is CCCCCNC(=O)CN1CCN(CC)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide?
The InChIKey is LTNACRUWFSYGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-5-6-7-14-13(17)12-16-10-8-15(4-2)9-11-16/h3-12H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide?
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 108995511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).