2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide

C14H23N3O2 — CID 50974093

IUPAC2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C14H23N3O2/c1-4-6-17(7-5-2)14(19)12-15-8-10-16(11-9-15)13(3)18/h4-5H,1-2,6-12H2,3H3
InChIKeyMIFWVZDHANDGJC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.35
Rot. Bonds6

About 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide

2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 50974093) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID50974093
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C14H23N3O2/c1-4-6-17(7-5-2)14(19)12-15-8-10-16(11-9-15)13(3)18/h4-5H,1-2,6-12H2,3H3
InChIKeyMIFWVZDHANDGJC-UHFFFAOYSA-N
XLogP0.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.35
H-Bond Donors ≤ 50
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-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide (CID 50974093) is 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is MIFWVZDHANDGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-17(7-5-2)14(19)12-15-8-10-16(11-9-15)13(3)18/h4-5H,1-2,6-12H2,3H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 50974093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).