(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide

C10H17N3O2 — CID 90066059

IUPAC(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide
SMILESCNC(=O)/C=C\C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17N3O2/c1-11-9(14)3-4-10(15)13-7-5-12(2)6-8-13/h3-4H,5-8H2,1-2H3,(H,11,14)/b4-3-
InChIKeyWVXOAWCNDNUSAN-ARJAWSKDSA-N
MW211.26 g/mol
LogP-0.94
Rot. Bonds2

About (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide

(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide (PubChem CID 90066059) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide
PubChem CID90066059
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide
SMILESCNC(=O)/C=C\C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17N3O2/c1-11-9(14)3-4-10(15)13-7-5-12(2)6-8-13/h3-4H,5-8H2,1-2H3,(H,11,14)/b4-3-
InChIKeyWVXOAWCNDNUSAN-ARJAWSKDSA-N
XLogP-0.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide with MolForge

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Related Compounds

N,N'-dimethylbut-2-enediamide
CID 54344026
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788
(E)-4-[3-(fluoromethyl)azetidin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 166965581
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
(E)-4-methoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 162736738
N,4-dimethyl-1,4-diazepane-1-carboxamide
CID 59680276
1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
CID 70520596
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
(E)-3-(2,4-dihydroxyphenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 155523938
methyl 4-[3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 76857450
3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 4198718
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide (CID 90066059) is (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide is CNC(=O)/C=C\C(=O)N1CCN(C)CC1.
What is the InChIKey of (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide?
The InChIKey is WVXOAWCNDNUSAN-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-11-9(14)3-4-10(15)13-7-5-12(2)6-8-13/h3-4H,5-8H2,1-2H3,(H,11,14)/b4-3-.
What are the key properties of (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide?
(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide has a molecular weight of 211.26 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide is sourced from PubChem (CID 90066059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).