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

C12H23N3O — CID 118147697

IUPAC(E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide
SMILESCCCN1CCN(C/C=C/C(=O)NC)CC1
InChIInChI=1S/C12H23N3O/c1-3-6-14-8-10-15(11-9-14)7-4-5-12(16)13-2/h4-5H,3,6-11H2,1-2H3,(H,13,16)/b5-4+
InChIKeyHXORLCNSDMJVGK-SNAWJCMRSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds5

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

(E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide (PubChem CID 118147697) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide
PubChem CID118147697
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide
SMILESCCCN1CCN(C/C=C/C(=O)NC)CC1
InChIInChI=1S/C12H23N3O/c1-3-6-14-8-10-15(11-9-14)7-4-5-12(16)13-2/h4-5H,3,6-11H2,1-2H3,(H,13,16)/b5-4+
InChIKeyHXORLCNSDMJVGK-SNAWJCMRSA-N
XLogP0.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
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
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
(E)-4-(3-fluoropiperidin-1-yl)-N-methylbut-2-enamide
CID 122537002
(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
CID 145151050
(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide
CID 145196974
(E)-4-fluoro-1-[(3S)-3-methylpiperazin-1-yl]but-2-en-1-one
CID 153584807
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679
(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
CID 5355529
3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide
CID 51080895
1-Piperazin-1-ylbut-2-en-1-one
CID 280948

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide (CID 118147697) is (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide is CCCN1CCN(C/C=C/C(=O)NC)CC1.
What is the InChIKey of (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide?
The InChIKey is HXORLCNSDMJVGK-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-6-14-8-10-15(11-9-14)7-4-5-12(16)13-2/h4-5H,3,6-11H2,1-2H3,(H,13,16)/b5-4+.
What are the key properties of (E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide?
(E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide has a molecular weight of 225.34 g/mol, XLogP of 0.32, 5 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-propylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 118147697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).