(E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide

C12H23N3O — CID 90066243

IUPAC(E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(C(C)C)CC1
InChIInChI=1S/C12H23N3O/c1-11(2)15-9-7-14(8-10-15)6-4-5-12(16)13-3/h4-5,11H,6-10H2,1-3H3,(H,13,16)/b5-4+
InChIKeyWJVLIFKZJJILHV-SNAWJCMRSA-N
MW225.34 g/mol
LogP0.31
Rot. Bonds4

About (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide

(E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide (PubChem CID 90066243) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
PubChem CID90066243
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(C(C)C)CC1
InChIInChI=1S/C12H23N3O/c1-11(2)15-9-7-14(8-10-15)6-4-5-12(16)13-3/h4-5,11H,6-10H2,1-3H3,(H,13,16)/b5-4+
InChIKeyWJVLIFKZJJILHV-SNAWJCMRSA-N
XLogP0.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nigragillin
CID 71454343
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
2-Dimethylaminopropyl acrylamide
CID 21707846
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
(E)-4-fluoro-1-[(3S)-3-methylpiperazin-1-yl]but-2-en-1-one
CID 153584807
5-Fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one
CID 82511147
(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
CID 5355529
1-Piperazin-1-ylbut-2-en-1-one
CID 280948
1-(Piperazin-1-yl)but-2-en-1-one
CID 5875664
Trimethyl-[2-(prop-2-enoylamino)propyl]azanium
CID 9877497
3-Methyl-1-piperazin-1-ylbut-2-en-1-one
CID 16769899
(E)-N-[2-(dimethylamino)ethyl]but-2-enamide
CID 20675064

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide (CID 90066243) is (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide is CNC(=O)/C=C/CN1CCN(C(C)C)CC1.
What is the InChIKey of (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
The InChIKey is WJVLIFKZJJILHV-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)15-9-7-14(8-10-15)6-4-5-12(16)13-3/h4-5,11H,6-10H2,1-3H3,(H,13,16)/b5-4+.
What are the key properties of (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
(E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide has a molecular weight of 225.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 90066243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).