ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate

C24H27N3O5 — CID 5344654

IUPACethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O5/c1-3-32-24(30)27-15-13-26(14-16-27)23(29)20(17-19-11-7-8-12-21(19)31-2)25-22(28)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,25,28)/b20-17-
InChIKeyBXBRBXJDYUJLFT-JZJYNLBNSA-N
MW437.50 g/mol
LogP2.77
Rot. Bonds6

About ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate

ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate (PubChem CID 5344654) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
PubChem CID5344654
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O5/c1-3-32-24(30)27-15-13-26(14-16-27)23(29)20(17-19-11-7-8-12-21(19)31-2)25-22(28)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,25,28)/b20-17-
InChIKeyBXBRBXJDYUJLFT-JZJYNLBNSA-N
XLogP2.77
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate (CID 5344654) is ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)NC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate?
The InChIKey is BXBRBXJDYUJLFT-JZJYNLBNSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-3-32-24(30)27-15-13-26(14-16-27)23(29)20(17-19-11-7-8-12-21(19)31-2)25-22(28)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,25,28)/b20-17-.
What are the key properties of ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate?
ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate is sourced from PubChem (CID 5344654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).