(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone

C14H21N3O — CID 64978518

IUPAC(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCCC1CN(C(=O)c2cccnc2)C(CC)CN1
InChIInChI=1S/C14H21N3O/c1-3-12-10-17(13(4-2)9-16-12)14(18)11-6-5-7-15-8-11/h5-8,12-13,16H,3-4,9-10H2,1-2H3
InChIKeyBJMNJNGFWBQREZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.68
Rot. Bonds3

About (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone

(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone (PubChem CID 64978518) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
PubChem CID64978518
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCCC1CN(C(=O)c2cccnc2)C(CC)CN1
InChIInChI=1S/C14H21N3O/c1-3-12-10-17(13(4-2)9-16-12)14(18)11-6-5-7-15-8-11/h5-8,12-13,16H,3-4,9-10H2,1-2H3
InChIKeyBJMNJNGFWBQREZ-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

(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 64978507
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82246572
(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone
CID 64978469
(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 64977785
[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82250597
(2,5-diethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120832
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 64977938
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone (CID 64978518) is (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone is CCC1CN(C(=O)c2cccnc2)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is BJMNJNGFWBQREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-12-10-17(13(4-2)9-16-12)14(18)11-6-5-7-15-8-11/h5-8,12-13,16H,3-4,9-10H2,1-2H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone?
(2,5-diethylpiperazin-1-yl)-pyridin-3-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-3-ylmethanone is sourced from PubChem (CID 64978518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).