1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one

C10H16N2O2 — CID 23034675

IUPAC1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one
SMILESC=CC(=O)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C10H16N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3H,1,4-8H2,2H3
InChIKeyVFDALWPZLNCNCQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds2

About 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one

1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one (PubChem CID 23034675) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one
PubChem CID23034675
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one
SMILESC=CC(=O)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C10H16N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3H,1,4-8H2,2H3
InChIKeyVFDALWPZLNCNCQ-UHFFFAOYSA-N
XLogP0.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one (CID 23034675) is 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one is C=CC(=O)N1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one?
The InChIKey is VFDALWPZLNCNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3H,1,4-8H2,2H3.
What are the key properties of 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one?
1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one has a molecular weight of 196.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 23034675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).