N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide

C10H16N4O2 — CID 18678965

IUPACN-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
SMILESC=CC(=O)NN1CCN(NC(=O)C=C)CC1
InChIInChI=1S/C10H16N4O2/c1-3-9(15)11-13-5-7-14(8-6-13)12-10(16)4-2/h3-4H,1-2,5-8H2,(H,11,15)(H,12,16)
InChIKeyPCVUEJRFAZITTL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.96
Rot. Bonds4

About N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide

N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide (PubChem CID 18678965) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
PubChem CID18678965
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
SMILESC=CC(=O)NN1CCN(NC(=O)C=C)CC1
InChIInChI=1S/C10H16N4O2/c1-3-9(15)11-13-5-7-14(8-6-13)12-10(16)4-2/h3-4H,1-2,5-8H2,(H,11,15)(H,12,16)
InChIKeyPCVUEJRFAZITTL-UHFFFAOYSA-N
XLogP-0.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triacroylaminohexahydro-1,3,5-triazine
CID 68920315
N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
N-piperazin-1-ylprop-2-enamide
CID 54213094
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
CID 123958058
2-methyl-N-[4-(2-methylprop-2-enoylamino)piperazin-1-yl]prop-2-enamide
CID 140055856
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
1-[4-[Methyl(methylamino)amino]piperazin-1-yl]prop-2-en-1-one
CID 146389480
N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 150213116
N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 156139048
N-[1,3-bis(prop-2-enoylamino)triazinan-5-yl]prop-2-enamide
CID 163216110
N-[4-(prop-2-enoylamino)-1,4-diazepan-1-yl]prop-2-enamide
CID 172862101

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide?
The IUPAC name of N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide (CID 18678965) is N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide?
The canonical SMILES for N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide is C=CC(=O)NN1CCN(NC(=O)C=C)CC1.
What is the InChIKey of N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide?
The InChIKey is PCVUEJRFAZITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-9(15)11-13-5-7-14(8-6-13)12-10(16)4-2/h3-4H,1-2,5-8H2,(H,11,15)(H,12,16).
What are the key properties of N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide?
N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide has a molecular weight of 224.26 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide is sourced from PubChem (CID 18678965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).