1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide

C11H22N4O2 — CID 79163472

IUPAC1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)N(C)CC
InChIInChI=1S/C11H22N4O2/c1-4-13-10(16)9-8-12-6-7-15(9)11(17)14(3)5-2/h9,12H,4-8H2,1-3H3,(H,13,16)
InChIKeyKUKOGZOGEAYGLL-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.53
Rot. Bonds3

About 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide

1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide (PubChem CID 79163472) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide
PubChem CID79163472
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)N(C)CC
InChIInChI=1S/C11H22N4O2/c1-4-13-10(16)9-8-12-6-7-15(9)11(17)14(3)5-2/h9,12H,4-8H2,1-3H3,(H,13,16)
InChIKeyKUKOGZOGEAYGLL-UHFFFAOYSA-N
XLogP-0.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112603458
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N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide
CID 83191736
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
CID 79694089
N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 66334816
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide
CID 114496531
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474
1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
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tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate
CID 141077468

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide (CID 79163472) is 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide is CCNC(=O)C1CNCCN1C(=O)N(C)CC.
What is the InChIKey of 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide?
The InChIKey is KUKOGZOGEAYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-4-13-10(16)9-8-12-6-7-15(9)11(17)14(3)5-2/h9,12H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide?
1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 79163472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).