(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone

C12H24N4O — CID 63621732

IUPAC(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone
SMILESCCC1CN(C(=O)C2CNCCN2)CCN1C
InChIInChI=1S/C12H24N4O/c1-3-10-9-16(7-6-15(10)2)12(17)11-8-13-4-5-14-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyNAADTIABIIAUBF-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.90
Rot. Bonds2

About (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone

(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone (PubChem CID 63621732) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone
PubChem CID63621732
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone
SMILESCCC1CN(C(=O)C2CNCCN2)CCN1C
InChIInChI=1S/C12H24N4O/c1-3-10-9-16(7-6-15(10)2)12(17)11-8-13-4-5-14-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyNAADTIABIIAUBF-UHFFFAOYSA-N
XLogP-0.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714365
azocan-1-yl(piperazin-2-yl)methanone
CID 63104167
(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63102910
(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
CID 170899766
(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone
CID 63104526
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898444
3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836583
2-[1-(piperazine-2-carbonyl)piperidin-4-yl]acetamide
CID 55176681
2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63635976
(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone?
The IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone (CID 63621732) is (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone.
What is the SMILES notation for (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone?
The canonical SMILES for (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone is CCC1CN(C(=O)C2CNCCN2)CCN1C.
What is the InChIKey of (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone?
The InChIKey is NAADTIABIIAUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-10-9-16(7-6-15(10)2)12(17)11-8-13-4-5-14-11/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone?
(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone is sourced from PubChem (CID 63621732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).