ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate

C19H26N2O5 — CID 36860916

IUPACethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
SMILESC/C=C/c1ccc(OCC(=O)N2CCN(C(=O)OCC)CC2)c(OC)c1
InChIInChI=1S/C19H26N2O5/c1-4-6-15-7-8-16(17(13-15)24-3)26-14-18(22)20-9-11-21(12-10-20)19(23)25-5-2/h4,6-8,13H,5,9-12,14H2,1-3H3/b6-4+
InChIKeyZWKCXMDPCZGOKP-GQCTYLIASA-N
MW362.43 g/mol
LogP2.41
Rot. Bonds6

About ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate (PubChem CID 36860916) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
PubChem CID36860916
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
SMILESC/C=C/c1ccc(OCC(=O)N2CCN(C(=O)OCC)CC2)c(OC)c1
InChIInChI=1S/C19H26N2O5/c1-4-6-15-7-8-16(17(13-15)24-3)26-14-18(22)20-9-11-21(12-10-20)19(23)25-5-2/h4,6-8,13H,5,9-12,14H2,1-3H3/b6-4+
InChIKeyZWKCXMDPCZGOKP-GQCTYLIASA-N
XLogP2.41
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]piperidine-1-carboxylate
CID 46798927
2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 97430729
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxy-4-prop-1-enylphenoxy)ethanone
CID 74514826
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 2471343
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 86975363
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 18270392
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26054588
2-(2-methoxy-4-prop-1-enylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 126785977
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26532467
4-[[4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazin-1-yl]methyl]benzonitrile
CID 17463724
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26959594
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate (CID 36860916) is ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate is C/C=C/c1ccc(OCC(=O)N2CCN(C(=O)OCC)CC2)c(OC)c1.
What is the InChIKey of ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate?
The InChIKey is ZWKCXMDPCZGOKP-GQCTYLIASA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-6-15-7-8-16(17(13-15)24-3)26-14-18(22)20-9-11-21(12-10-20)19(23)25-5-2/h4,6-8,13H,5,9-12,14H2,1-3H3/b6-4+.
What are the key properties of ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 36860916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).