ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate

C17H24N2O3 — CID 2922317

IUPACethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(CC)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-15(14-8-6-5-7-9-14)16(20)18-10-12-19(13-11-18)17(21)22-4-2/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyWIASVSGGVURMHW-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.48
Rot. Bonds4

About ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate

ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate (PubChem CID 2922317) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate
PubChem CID2922317
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(CC)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-15(14-8-6-5-7-9-14)16(20)18-10-12-19(13-11-18)17(21)22-4-2/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyWIASVSGGVURMHW-UHFFFAOYSA-N
XLogP2.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate (CID 2922317) is ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(CC)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate?
The InChIKey is WIASVSGGVURMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-15(14-8-6-5-7-9-14)16(20)18-10-12-19(13-11-18)17(21)22-4-2/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate?
ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 2922317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).