ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate

C17H23N3O4 — CID 2667430

IUPACethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)20-11-9-19(10-12-20)16(22)13(2)18-15(21)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyHHEUXJFDTZAHPA-ZDUSSCGKSA-N
MW333.39 g/mol
LogP1.11
Rot. Bonds4

About ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate

ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate (PubChem CID 2667430) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
PubChem CID2667430
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)20-11-9-19(10-12-20)16(22)13(2)18-15(21)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyHHEUXJFDTZAHPA-ZDUSSCGKSA-N
XLogP1.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate
CID 110348517
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[(2S)-2-(benzylsulfonylamino)propanoyl]piperazine-1-carboxylate
CID 110348540
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55495610
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
ethyl 4-[(2S)-2-(2-ethylbutanoylamino)propanoyl]piperazine-1-carboxylate
CID 110348482
ethyl 4-[(2S)-2-(2-phenylethylsulfonylamino)propanoyl]piperazine-1-carboxylate
CID 110348544
ethyl 4-[(2R)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 124651126
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate (CID 2667430) is ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate?
The InChIKey is HHEUXJFDTZAHPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-24-17(23)20-11-9-19(10-12-20)16(22)13(2)18-15(21)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate?
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 2667430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).