methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate

C14H24N2O3 — CID 78983790

IUPACmethyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate
SMILESCC/C=C(/C)C(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H24N2O3/c1-4-5-12(2)14(18)16-10-8-15(9-11-16)7-6-13(17)19-3/h5H,4,6-11H2,1-3H3/b12-5-
InChIKeySXTUPTXYWFRUIA-XGICHPGQSA-N
MW268.36 g/mol
LogP1.05
Rot. Bonds5

About methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate

methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate (PubChem CID 78983790) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate
PubChem CID78983790
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate
SMILESCC/C=C(/C)C(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H24N2O3/c1-4-5-12(2)14(18)16-10-8-15(9-11-16)7-6-13(17)19-3/h5H,4,6-11H2,1-3H3/b12-5-
InChIKeySXTUPTXYWFRUIA-XGICHPGQSA-N
XLogP1.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 71897559
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 78918272
(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide
CID 97455138
methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170
methyl 3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 113221901
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-[4-(4-chlorobutanoyl)piperazin-1-yl]propanoate
CID 115534236

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate (CID 78983790) is methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate is CC/C=C(/C)C(=O)N1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate?
The InChIKey is SXTUPTXYWFRUIA-XGICHPGQSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-5-12(2)14(18)16-10-8-15(9-11-16)7-6-13(17)19-3/h5H,4,6-11H2,1-3H3/b12-5-.
What are the key properties of methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate has a molecular weight of 268.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78983790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).