2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide

C12H19N3O — CID 122678224

IUPAC2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide
SMILESNC(=O)CN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H19N3O/c13-12(16)10-14-6-8-15(9-7-14)11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2,(H2,13,16)
InChIKeyKSBGXSLXSGIDDR-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.32
Rot. Bonds3

About 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide

2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide (PubChem CID 122678224) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide
PubChem CID122678224
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide
SMILESNC(=O)CN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H19N3O/c13-12(16)10-14-6-8-15(9-7-14)11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2,(H2,13,16)
InChIKeyKSBGXSLXSGIDDR-UHFFFAOYSA-N
XLogP0.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide (CID 122678224) is 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide is NC(=O)CN1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide?
The InChIKey is KSBGXSLXSGIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-12(16)10-14-6-8-15(9-7-14)11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2,(H2,13,16).
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide?
2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 122678224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).