piperazine;prop-2-enamide;propyl prop-2-enoate

C13H25N3O3 — CID 70398619

IUPACpiperazine;prop-2-enamide;propyl prop-2-enoate
SMILESC1CNCCN1.C=CC(=O)OCCC.C=CC(N)=O
InChIInChI=1S/C6H10O2.C4H10N2.C3H5NO/c1-3-5-8-6(7)4-2;1-2-6-4-3-5-1;1-2-3(4)5/h4H,2-3,5H2,1H3;5-6H,1-4H2;2H,1H2,(H2,4,5)
InChIKeyDRHQRWKNTIGVPC-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.04
Rot. Bonds4

About piperazine;prop-2-enamide;propyl prop-2-enoate

piperazine;prop-2-enamide;propyl prop-2-enoate (PubChem CID 70398619) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is piperazine;prop-2-enamide;propyl prop-2-enoate.

Molecular Properties

Compound Namepiperazine;prop-2-enamide;propyl prop-2-enoate
PubChem CID70398619
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namepiperazine;prop-2-enamide;propyl prop-2-enoate
SMILESC1CNCCN1.C=CC(=O)OCCC.C=CC(N)=O
InChIInChI=1S/C6H10O2.C4H10N2.C3H5NO/c1-3-5-8-6(7)4-2;1-2-6-4-3-5-1;1-2-3(4)5/h4H,2-3,5H2,1H3;5-6H,1-4H2;2H,1H2,(H2,4,5)
InChIKeyDRHQRWKNTIGVPC-UHFFFAOYSA-N
XLogP-0.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperazine;prop-2-enamide;propyl prop-2-enoate?
The IUPAC name of piperazine;prop-2-enamide;propyl prop-2-enoate (CID 70398619) is piperazine;prop-2-enamide;propyl prop-2-enoate.
What is the SMILES notation for piperazine;prop-2-enamide;propyl prop-2-enoate?
The canonical SMILES for piperazine;prop-2-enamide;propyl prop-2-enoate is C1CNCCN1.C=CC(=O)OCCC.C=CC(N)=O.
What is the InChIKey of piperazine;prop-2-enamide;propyl prop-2-enoate?
The InChIKey is DRHQRWKNTIGVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H10N2.C3H5NO/c1-3-5-8-6(7)4-2;1-2-6-4-3-5-1;1-2-3(4)5/h4H,2-3,5H2,1H3;5-6H,1-4H2;2H,1H2,(H2,4,5).
What are the key properties of piperazine;prop-2-enamide;propyl prop-2-enoate?
piperazine;prop-2-enamide;propyl prop-2-enoate has a molecular weight of 271.36 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;prop-2-enamide;propyl prop-2-enoate is sourced from PubChem (CID 70398619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).