4-(4-piperazin-1-ylphenyl)but-3-enamide

C14H19N3O — CID 170798696

IUPAC4-(4-piperazin-1-ylphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H19N3O/c15-14(18)3-1-2-12-4-6-13(7-5-12)17-10-8-16-9-11-17/h1-2,4-7,16H,3,8-11H2,(H2,15,18)
InChIKeyVCZJNRZPWVJASG-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.98
Rot. Bonds4

About 4-(4-piperazin-1-ylphenyl)but-3-enamide

4-(4-piperazin-1-ylphenyl)but-3-enamide (PubChem CID 170798696) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(4-piperazin-1-ylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-piperazin-1-ylphenyl)but-3-enamide
PubChem CID170798696
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(4-piperazin-1-ylphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H19N3O/c15-14(18)3-1-2-12-4-6-13(7-5-12)17-10-8-16-9-11-17/h1-2,4-7,16H,3,8-11H2,(H2,15,18)
InChIKeyVCZJNRZPWVJASG-UHFFFAOYSA-N
XLogP0.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

S-[4-(4-piperazin-1-ylphenyl)but-3-enyl] ethanethioate
CID 170480906
N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine
CID 169474344
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
1-[4-(3-azidoprop-1-enyl)phenyl]piperazine
CID 169462483
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide
CID 72581664
4-(4-piperazin-1-ylphenyl)but-3-ynamide
CID 170473841
9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
CID 169470346
propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
CID 165119278
3,4-dihydroxy-4-(4-piperazin-1-ylphenyl)butanamide
CID 171899991
methyl (E)-4-[4-(azepan-1-yl)phenyl]but-3-enoate
CID 66634662
ethane;propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
CID 165119276

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperazin-1-ylphenyl)but-3-enamide?
The IUPAC name of 4-(4-piperazin-1-ylphenyl)but-3-enamide (CID 170798696) is 4-(4-piperazin-1-ylphenyl)but-3-enamide.
What is the SMILES notation for 4-(4-piperazin-1-ylphenyl)but-3-enamide?
The canonical SMILES for 4-(4-piperazin-1-ylphenyl)but-3-enamide is NC(=O)CC=Cc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 4-(4-piperazin-1-ylphenyl)but-3-enamide?
The InChIKey is VCZJNRZPWVJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-14(18)3-1-2-12-4-6-13(7-5-12)17-10-8-16-9-11-17/h1-2,4-7,16H,3,8-11H2,(H2,15,18).
What are the key properties of 4-(4-piperazin-1-ylphenyl)but-3-enamide?
4-(4-piperazin-1-ylphenyl)but-3-enamide has a molecular weight of 245.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperazin-1-ylphenyl)but-3-enamide is sourced from PubChem (CID 170798696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).