ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate

C18H26N4O4 — CID 8543837

IUPACethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C18H26N4O4/c1-3-19-17(24)20-16(23)15(14-8-6-5-7-9-14)21-10-12-22(13-11-21)18(25)26-4-2/h5-9,15H,3-4,10-13H2,1-2H3,(H2,19,20,23,24)/t15-/m1/s1
InChIKeyALVKBEWIBYCNIK-OAHLLOKOSA-N
MW362.43 g/mol
LogP1.35
Rot. Bonds5

About ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate

ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate (PubChem CID 8543837) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
PubChem CID8543837
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C18H26N4O4/c1-3-19-17(24)20-16(23)15(14-8-6-5-7-9-14)21-10-12-22(13-11-21)18(25)26-4-2/h5-9,15H,3-4,10-13H2,1-2H3,(H2,19,20,23,24)/t15-/m1/s1
InChIKeyALVKBEWIBYCNIK-OAHLLOKOSA-N
XLogP1.35
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate with MolForge

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Related Compounds

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(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide
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2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate (CID 8543837) is ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate is CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate?
The InChIKey is ALVKBEWIBYCNIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-19-17(24)20-16(23)15(14-8-6-5-7-9-14)21-10-12-22(13-11-21)18(25)26-4-2/h5-9,15H,3-4,10-13H2,1-2H3,(H2,19,20,23,24)/t15-/m1/s1.
What are the key properties of ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate?
ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 8543837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).