(E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide

C9H15N3O2 — CID 118147696

IUPAC(E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCNC(=O)C1
InChIInChI=1S/C9H15N3O2/c1-10-8(13)3-2-5-12-6-4-11-9(14)7-12/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)/b3-2+
InChIKeyQIOSRZPURFQCGF-NSCUHMNNSA-N
MW197.24 g/mol
LogP-1.28
Rot. Bonds3

About (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide

(E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide (PubChem CID 118147696) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide
PubChem CID118147696
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCNC(=O)C1
InChIInChI=1S/C9H15N3O2/c1-10-8(13)3-2-5-12-6-4-11-9(14)7-12/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)/b3-2+
InChIKeyQIOSRZPURFQCGF-NSCUHMNNSA-N
XLogP-1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
2-(2-Oxo-2,5-dihydro-1H-pyrrol-1-yl)acetamide
CID 44825265
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
CID 1678753
CID 1678753
(E)-4-fluoro-1-[(3S)-3-methylpiperazin-1-yl]but-2-en-1-one
CID 153584807
1-Acetyl-3-eth-(Z)-ylidene-piperazine-2,5-dione
CID 15176645
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
CID 164672230
N-methyl-2-(6-oxo-2,3-dihydropyridin-1-yl)acetamide
CID 176432698
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679
5-Fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
CID 82147628
2-(5-fluoro-2-oxo-1-pyridinyl)-N-methylacetamide
CID 84313539
2-(5-fluoro-2-oxo-1-pyridinyl)-N-propylacetamide
CID 84313602

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide (CID 118147696) is (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide is CNC(=O)/C=C/CN1CCNC(=O)C1.
What is the InChIKey of (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide?
The InChIKey is QIOSRZPURFQCGF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-8(13)3-2-5-12-6-4-11-9(14)7-12/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)/b3-2+.
What are the key properties of (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide?
(E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide has a molecular weight of 197.24 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(3-oxopiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 118147696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).