ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate

C17H25N3O3 — CID 8932163

IUPACethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-23-17(22)20-11-9-19(10-12-20)13-16(21)18-14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyDWGPHNZPXAVMEK-AWEZNQCLSA-N
MW319.41 g/mol
LogP1.64
Rot. Bonds5

About ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate

ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 8932163) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
PubChem CID8932163
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nameethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-23-17(22)20-11-9-19(10-12-20)13-16(21)18-14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyDWGPHNZPXAVMEK-AWEZNQCLSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 46665939
ethyl 4-[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932049
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate
CID 26553594
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate (CID 8932163) is ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate?
The InChIKey is DWGPHNZPXAVMEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-23-17(22)20-11-9-19(10-12-20)13-16(21)18-14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate?
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 8932163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).