bis(4-methylpiperazin-1-yl)methanone

C11H22N4O — CID 515613

IUPACbis(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H22N4O/c1-12-3-7-14(8-4-12)11(16)15-9-5-13(2)6-10-15/h3-10H2,1-2H3
InChIKeyJDSZAPBISRHOMR-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.40
Rot. Bonds

About bis(4-methylpiperazin-1-yl)methanone

bis(4-methylpiperazin-1-yl)methanone (PubChem CID 515613) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is bis(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namebis(4-methylpiperazin-1-yl)methanone
PubChem CID515613
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Namebis(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H22N4O/c1-12-3-7-14(8-4-12)11(16)15-9-5-13(2)6-10-15/h3-10H2,1-2H3
InChIKeyJDSZAPBISRHOMR-UHFFFAOYSA-N
XLogP-0.40
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethylcarbamazine
CID 3052
Diethylcarbamazine Monohydrochloride
CID 79300
1-Diethylcarbamyl-4-ethylpiperazine
CID 127066
1-Piperazinecarboxamide, N,N,4-trimethyl-, hydrochloride
CID 116048
1-N,1-N,4-N,4-N-tetramethylpiperazine-1,4-dicarboxamide
CID 654698
Cambridge id 6747209
CID 831783
diazenedicarboxylic acid bis(N'-methylpiperazide)
CID 5924591
N,N,4-trimethylpiperazine-1-carboxamide
CID 116049
1-Piperazinecarboxamide, N,N'-ethylenebis(N-butyl-4-methyl-
CID 218426
N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 49769262
N-(2-diethylaminoethyl)-N,4-dimethyl-piperazine-1-carboxamide
CID 515600
N,N-dimethyl-4-(piperidine-1-carbonyl)piperazine-1-carboxamide
CID 6462863

Frequently Asked Questions

What is the IUPAC name of bis(4-methylpiperazin-1-yl)methanone?
The IUPAC name of bis(4-methylpiperazin-1-yl)methanone (CID 515613) is bis(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for bis(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for bis(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of bis(4-methylpiperazin-1-yl)methanone?
The InChIKey is JDSZAPBISRHOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-12-3-7-14(8-4-12)11(16)15-9-5-13(2)6-10-15/h3-10H2,1-2H3.
What are the key properties of bis(4-methylpiperazin-1-yl)methanone?
bis(4-methylpiperazin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 515613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).