1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one

C16H27N3O2 — CID 70520596

IUPAC1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.C=CC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H14N2O.C8H13NO/c1-3-8(11)10-6-4-9(2)5-7-10;1-2-8(10)9-6-4-3-5-7-9/h3H,1,4-7H2,2H3;2H,1,3-7H2
InChIKeyFNTYJAOJMOMVAJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.13
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one

1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one (PubChem CID 70520596) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
PubChem CID70520596
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.C=CC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H14N2O.C8H13NO/c1-3-8(11)10-6-4-9(2)5-7-10;1-2-8(10)9-6-4-3-5-7-9/h3H,1,4-7H2,2H3;2H,1,3-7H2
InChIKeyFNTYJAOJMOMVAJ-UHFFFAOYSA-N
XLogP1.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one (CID 70520596) is 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one is C=CC(=O)N1CCCCC1.C=CC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is FNTYJAOJMOMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C8H13NO/c1-3-8(11)10-6-4-9(2)5-7-10;1-2-8(10)9-6-4-3-5-7-9/h3H,1,4-7H2,2H3;2H,1,3-7H2.
What are the key properties of 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one?
1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 293.41 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 70520596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).