2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C14H25ClN4O3 — CID 119463240

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)NCC2CCCNC2)C(=O)C1=O.Cl
InChIInChI=1S/C14H24N4O3.ClH/c1-2-17-6-7-18(14(21)13(17)20)10-12(19)16-9-11-4-3-5-15-8-11;/h11,15H,2-10H2,1H3,(H,16,19);1H
InChIKeyFLUSKFQGAUZGTG-UHFFFAOYSA-N
MW332.83 g/mol
LogP-0.79
Rot. Bonds5

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119463240) has the molecular formula C14H25ClN4O3 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119463240
Molecular FormulaC14H25ClN4O3
Molecular Weight332.83 g/mol
Exact Mass332.16
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)NCC2CCCNC2)C(=O)C1=O.Cl
InChIInChI=1S/C14H24N4O3.ClH/c1-2-17-6-7-18(14(21)13(17)20)10-12(19)16-9-11-4-3-5-15-8-11;/h11,15H,2-10H2,1H3,(H,16,19);1H
InChIKeyFLUSKFQGAUZGTG-UHFFFAOYSA-N
XLogP-0.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463720
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463484
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459993
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
2,2-dimethyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide;hydrochloride
CID 119462428
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119461326

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119463240) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is CCN1CCN(CC(=O)NCC2CCCNC2)C(=O)C1=O.Cl.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is FLUSKFQGAUZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3.ClH/c1-2-17-6-7-18(14(21)13(17)20)10-12(19)16-9-11-4-3-5-15-8-11;/h11,15H,2-10H2,1H3,(H,16,19);1H.
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119463240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).