(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate

C11H14N4O2 — CID 101010227

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate
SMILESC=CC(=O)ON1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H14N4O2/c1-2-10(16)17-15-8-6-14(7-9-15)11-12-4-3-5-13-11/h2-5H,1,6-9H2
InChIKeyGGEOXTXVNGWORI-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.24
Rot. Bonds3

About (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate

(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate (PubChem CID 101010227) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate
PubChem CID101010227
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate
SMILESC=CC(=O)ON1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H14N4O2/c1-2-10(16)17-15-8-6-14(7-9-15)11-12-4-3-5-13-11/h2-5H,1,6-9H2
InChIKeyGGEOXTXVNGWORI-UHFFFAOYSA-N
XLogP0.24
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
N-[(E)-3,3-dimethylbut-1-enyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108911512
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109246934
(2E,4E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 26758368
2-(2-hydroxyethoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110678248
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate (CID 101010227) is (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate is C=CC(=O)ON1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate?
The InChIKey is GGEOXTXVNGWORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-10(16)17-15-8-6-14(7-9-15)11-12-4-3-5-13-11/h2-5H,1,6-9H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate?
(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate has a molecular weight of 234.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate is sourced from PubChem (CID 101010227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).