ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate

C17H26N4O2 — CID 143573583

IUPACethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate
SMILESCCOC(=O)CN/C=C(\C(N)c1ccccc1)N1CCNCC1
InChIInChI=1S/C17H26N4O2/c1-2-23-16(22)13-20-12-15(21-10-8-19-9-11-21)17(18)14-6-4-3-5-7-14/h3-7,12,17,19-20H,2,8-11,13,18H2,1H3/b15-12+
InChIKeyYQSZBEQOUJUHDB-NTCAYCPXSA-N
MW318.42 g/mol
LogP0.59
Rot. Bonds7

About ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate

ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate (PubChem CID 143573583) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate
PubChem CID143573583
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nameethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate
SMILESCCOC(=O)CN/C=C(\C(N)c1ccccc1)N1CCNCC1
InChIInChI=1S/C17H26N4O2/c1-2-23-16(22)13-20-12-15(21-10-8-19-9-11-21)17(18)14-6-4-3-5-7-14/h3-7,12,17,19-20H,2,8-11,13,18H2,1H3/b15-12+
InChIKeyYQSZBEQOUJUHDB-NTCAYCPXSA-N
XLogP0.59
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl (2R)-2-amino-2-phenylacetate
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ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
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ethyl 2-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]acetate
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ethyl 2-amino-2-phenylacetate chloride
CID 3083657
benzhydryl piperazine-1-carboxylate
CID 69141758
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
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(2R)-2-amino-N-ethoxy-2-phenylacetamide
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ethyl 2-(1-phenylpropylamino)acetate
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2-hydrazinyl-2-phenyl-1-piperazin-1-ylethanone
CID 82510408
diphenylmethanol;ethane;ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutyl)amino]acetate
CID 142361312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate?
The IUPAC name of ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate (CID 143573583) is ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate is CCOC(=O)CN/C=C(\C(N)c1ccccc1)N1CCNCC1.
What is the InChIKey of ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate?
The InChIKey is YQSZBEQOUJUHDB-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-23-16(22)13-20-12-15(21-10-8-19-9-11-21)17(18)14-6-4-3-5-7-14/h3-7,12,17,19-20H,2,8-11,13,18H2,1H3/b15-12+.
What are the key properties of ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate?
ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate has a molecular weight of 318.42 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-3-amino-3-phenyl-2-piperazin-1-ylprop-1-enyl]amino]acetate is sourced from PubChem (CID 143573583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).