1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C16H24N4O2 — CID 109187248

IUPAC1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(C(C)=O)CC2)nc1
InChIInChI=1S/C16H24N4O2/c1-4-18(5-2)14-6-7-15(17-12-14)16(22)20-10-8-19(9-11-20)13(3)21/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyOUTCIOIAUOIABZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.23
Rot. Bonds4

About 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109187248) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109187248
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(C(C)=O)CC2)nc1
InChIInChI=1S/C16H24N4O2/c1-4-18(5-2)14-6-7-15(17-12-14)16(22)20-10-8-19(9-11-20)13(3)21/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyOUTCIOIAUOIABZ-UHFFFAOYSA-N
XLogP1.23
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
CID 115490751
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanone
CID 83120327
1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119677
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194515
2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
CID 108508432
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109187248) is 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CCN(CC)c1ccc(C(=O)N2CCN(C(C)=O)CC2)nc1.
What is the InChIKey of 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is OUTCIOIAUOIABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-18(5-2)14-6-7-15(17-12-14)16(22)20-10-8-19(9-11-20)13(3)21/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109187248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).