ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate

C16H29N3O4 — CID 113166709

IUPACethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCCCCN(CC(=O)N1CCN(C(=O)OCC)CC1)C(C)=O
InChIInChI=1S/C16H29N3O4/c1-4-6-7-8-19(14(3)20)13-15(21)17-9-11-18(12-10-17)16(22)23-5-2/h4-13H2,1-3H3
InChIKeySHOZWOXKOODZBG-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.33
Rot. Bonds7

About ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 113166709) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID113166709
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nameethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCCCCN(CC(=O)N1CCN(C(=O)OCC)CC1)C(C)=O
InChIInChI=1S/C16H29N3O4/c1-4-6-7-8-19(14(3)20)13-15(21)17-9-11-18(12-10-17)16(22)23-5-2/h4-13H2,1-3H3
InChIKeySHOZWOXKOODZBG-UHFFFAOYSA-N
XLogP1.33
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate 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

N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pentylacetamide
CID 113166654
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629
ethyl 4-[3-[acetyl-[3-(dimethylamino)propyl]amino]propanoyl]piperazine-1-carboxylate
CID 113117857
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157923
ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
CID 113166314
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 108989937
butyl aziridine-1-carboxylate
CID 12641
ethyl 4-[3-[butyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
CID 113136690
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
ethyl 4-[3-(butylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941411
ethyl 4-[2-(N-acetyl-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113167712

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate (CID 113166709) is ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate is CCCCCN(CC(=O)N1CCN(C(=O)OCC)CC1)C(C)=O.
What is the InChIKey of ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is SHOZWOXKOODZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-4-6-7-8-19(14(3)20)13-15(21)17-9-11-18(12-10-17)16(22)23-5-2/h4-13H2,1-3H3.
What are the key properties of ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 113166709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).