2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid

C14H18N2O4 — CID 67229124

IUPAC2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid
SMILESC=CC(=O)C1(C(=O)C=C)CNCCN1CC(=C)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-4-11(17)14(12(18)5-2)9-15-6-7-16(14)8-10(3)13(19)20/h4-5,15H,1-3,6-9H2,(H,19,20)
InChIKeyFYDSNUCVROWSNU-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.22
Rot. Bonds7

About 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid

2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid (PubChem CID 67229124) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid
PubChem CID67229124
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid
SMILESC=CC(=O)C1(C(=O)C=C)CNCCN1CC(=C)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-4-11(17)14(12(18)5-2)9-15-6-7-16(14)8-10(3)13(19)20/h4-5,15H,1-3,6-9H2,(H,19,20)
InChIKeyFYDSNUCVROWSNU-UHFFFAOYSA-N
XLogP-0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-iodo-1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
CID 166721647
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 65462771
2-prop-2-enoylpiperazine-2-carboxylic acid
CID 175987338
2-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]prop-2-enoic acid
CID 66075748
2-(2-azaspiro[4.4]nonan-2-ylmethyl)prop-2-enoic acid
CID 130516454
CID 140659696
CID 140659696
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 65460562
2-(hydroxymethyl)piperazine-1,2-dicarboxamide
CID 141020073
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
2-[(3-methylidenepiperidin-1-yl)methyl]prop-2-enoic acid
CID 164652055
prop-2-enyl 2-(1,4,7,10-tetrazacyclododec-1-yl)acetate
CID 53487771
N-carbamoyl-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65463600

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid (CID 67229124) is 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid is C=CC(=O)C1(C(=O)C=C)CNCCN1CC(=C)C(=O)O.
What is the InChIKey of 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid?
The InChIKey is FYDSNUCVROWSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-11(17)14(12(18)5-2)9-15-6-7-16(14)8-10(3)13(19)20/h4-5,15H,1-3,6-9H2,(H,19,20).
What are the key properties of 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid?
2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid has a molecular weight of 278.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid is sourced from PubChem (CID 67229124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).