2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide

C14H22FN3O2 — CID 110283338

IUPAC2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CC1NCCN(CCF)C1=O
InChIInChI=1S/C14H22FN3O2/c1-3-7-17(8-4-2)13(19)11-12-14(20)18(9-5-15)10-6-16-12/h3-4,12,16H,1-2,5-11H2
InChIKeyBSXQPNBXGGKPAP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.35
Rot. Bonds8

About 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide

2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 110283338) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID110283338
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CC1NCCN(CCF)C1=O
InChIInChI=1S/C14H22FN3O2/c1-3-7-17(8-4-2)13(19)11-12-14(20)18(9-5-15)10-6-16-12/h3-4,12,16H,1-2,5-11H2
InChIKeyBSXQPNBXGGKPAP-UHFFFAOYSA-N
XLogP0.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.35
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-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide (CID 110283338) is 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CC1NCCN(CCF)C1=O.
What is the InChIKey of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is BSXQPNBXGGKPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-3-7-17(8-4-2)13(19)11-12-14(20)18(9-5-15)10-6-16-12/h3-4,12,16H,1-2,5-11H2.
What are the key properties of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 110283338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).