propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate

C17H27N3O4 — CID 54817714

IUPACpropyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
SMILESC=CCN(CC=C)CC(=O)N1CCNC(=O)C1CC(=O)OCCC
InChIInChI=1S/C17H27N3O4/c1-4-8-19(9-5-2)13-15(21)20-10-7-18-17(23)14(20)12-16(22)24-11-6-3/h4-5,14H,1-2,6-13H2,3H3,(H,18,23)
InChIKeyXTQNUCPCAVABRD-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.33
Rot. Bonds10

About propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54817714) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54817714
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Namepropyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
SMILESC=CCN(CC=C)CC(=O)N1CCNC(=O)C1CC(=O)OCCC
InChIInChI=1S/C17H27N3O4/c1-4-8-19(9-5-2)13-15(21)20-10-7-18-17(23)14(20)12-16(22)24-11-6-3/h4-5,14H,1-2,6-13H2,3H3,(H,18,23)
InChIKeyXTQNUCPCAVABRD-UHFFFAOYSA-N
XLogP0.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 355561
Methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
CID 2959122
2-Methoxyethyl 2-(3-oxo-2-piperazinyl)acetate
CID 4779116
Ethyl (5-methyl-3-oxopiperazin-2-yl)acetate
CID 74889538
2,5-Diketopiperazin-3,6-diessigsaurediathylester
CID 129642751
Ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283306
Butyl 2-(3-oxopiperazin-2-yl)acetate
CID 3308359
2-methoxyethyl [(S)-3-oxo-2-piperazinyl]acetate
CID 9319831
Propyl 2-(3-oxopiperazin-2-yl)acetate
CID 4777781
2-(2-Ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid
CID 19422557
Ethyl 3-[3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate
CID 19602763
Boc-Asp(OtBu)-N(allyl)Gly-OEt
CID 22852533

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate (CID 54817714) is propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate is C=CCN(CC=C)CC(=O)N1CCNC(=O)C1CC(=O)OCCC.
What is the InChIKey of propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is XTQNUCPCAVABRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-4-8-19(9-5-2)13-15(21)20-10-7-18-17(23)14(20)12-16(22)24-11-6-3/h4-5,14H,1-2,6-13H2,3H3,(H,18,23).
What are the key properties of propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 337.42 g/mol, XLogP of 0.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[2-[bis(prop-2-enyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54817714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).