(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone

C14H21N3O — CID 64978517

IUPAC(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCCC1CN(C(=O)c2ccccn2)C(CC)CN1
InChIInChI=1S/C14H21N3O/c1-3-11-10-17(12(4-2)9-16-11)14(18)13-7-5-6-8-15-13/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyGIVZTWTZJAZLLL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.68
Rot. Bonds3

About (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone

(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone (PubChem CID 64978517) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
PubChem CID64978517
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCCC1CN(C(=O)c2ccccn2)C(CC)CN1
InChIInChI=1S/C14H21N3O/c1-3-11-10-17(12(4-2)9-16-11)14(18)13-7-5-6-8-15-13/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyGIVZTWTZJAZLLL-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 82250586
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978460
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-diethylpiperazin-1-yl)methanone
CID 66394405
(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 64977938
(2,5-diethylpiperazin-1-yl)-(1H-indol-6-yl)methanone
CID 64978198
(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
CID 64978238
2,5-diethyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933750
4-(2,5-diethylpiperazin-1-yl)-N-ethylpyridine-2-carboxamide
CID 64979161
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955
2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 64978331

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone (CID 64978517) is (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone is CCC1CN(C(=O)c2ccccn2)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone?
The InChIKey is GIVZTWTZJAZLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11-10-17(12(4-2)9-16-11)14(18)13-7-5-6-8-15-13/h5-8,11-12,16H,3-4,9-10H2,1-2H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone?
(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 64978517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).