4-(4-cyclopropylpiperazin-1-yl)but-2-enamide

C11H19N3O — CID 141030289

IUPAC4-(4-cyclopropylpiperazin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCN(C2CC2)CC1
InChIInChI=1S/C11H19N3O/c12-11(15)2-1-5-13-6-8-14(9-7-13)10-3-4-10/h1-2,10H,3-9H2,(H2,12,15)
InChIKeyYPYUKVGFBXYIEP-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.19
Rot. Bonds4

About 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide

4-(4-cyclopropylpiperazin-1-yl)but-2-enamide (PubChem CID 141030289) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)but-2-enamide
PubChem CID141030289
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCN(C2CC2)CC1
InChIInChI=1S/C11H19N3O/c12-11(15)2-1-5-13-6-8-14(9-7-13)10-3-4-10/h1-2,10H,3-9H2,(H2,12,15)
InChIKeyYPYUKVGFBXYIEP-UHFFFAOYSA-N
XLogP-0.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.19
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

1,2-Dimethylpiperazine;prop-2-enamide
CID 22444655
(E)-1-(2,5-dimethylpiperazin-1-yl)but-2-en-1-one
CID 64980060
(E)-but-2-enediamide;1,2-dimethylpiperazine
CID 70408576
But-2-enediamide;1,2-dimethylpiperazine
CID 70408579
(E)-1-[2-(aminomethyl)-4-methylpiperazin-1-yl]but-2-en-1-one
CID 80504808
(E)-N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
CID 90066111
(E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
CID 90066243
(E)-1-[(3S)-3-methylpiperazin-1-yl]but-2-en-1-one
CID 104976222
(E)-4-(4-methylpiperazin-1-yl)but-2-enamide
CID 118024458
(E)-4-(4-cyclopropylpiperazin-1-yl)-N-methylbut-2-enamide
CID 118034018
(E)-4-(4-methylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 118034451
(E)-N-methyl-4-(4-propylpiperazin-1-yl)but-2-enamide
CID 118147697

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide (CID 141030289) is 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide is NC(=O)C=CCN1CCN(C2CC2)CC1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide?
The InChIKey is YPYUKVGFBXYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-11(15)2-1-5-13-6-8-14(9-7-13)10-3-4-10/h1-2,10H,3-9H2,(H2,12,15).
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide?
4-(4-cyclopropylpiperazin-1-yl)but-2-enamide has a molecular weight of 209.29 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 141030289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).