2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone

C12H21N3O — CID 39255128

IUPAC2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone
SMILESC=CCN(CC=C)CC(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O/c1-3-7-14(8-4-2)11-12(16)15-9-5-13-6-10-15/h3-4,13H,1-2,5-11H2
InChIKeyLYKBSRFBPGDKOL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.09
Rot. Bonds6

About 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone

2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone (PubChem CID 39255128) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone
PubChem CID39255128
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone
SMILESC=CCN(CC=C)CC(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O/c1-3-7-14(8-4-2)11-12(16)15-9-5-13-6-10-15/h3-4,13H,1-2,5-11H2
InChIKeyLYKBSRFBPGDKOL-UHFFFAOYSA-N
XLogP0.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone (CID 39255128) is 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone is C=CCN(CC=C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is LYKBSRFBPGDKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-7-14(8-4-2)11-12(16)15-9-5-13-6-10-15/h3-4,13H,1-2,5-11H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone?
2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 223.32 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 39255128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).