ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate

C14H19N3O3 — CID 781025

IUPACethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-10-8-16(9-11-17)13(18)15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,15,18)
InChIKeyGWWZRDIMISIHCG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.99
Rot. Bonds2

About ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate

ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate (PubChem CID 781025) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate
PubChem CID781025
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-10-8-16(9-11-17)13(18)15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,15,18)
InChIKeyGWWZRDIMISIHCG-UHFFFAOYSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate (CID 781025) is ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is GWWZRDIMISIHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-14(19)17-10-8-16(9-11-17)13(18)15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,15,18).
What are the key properties of ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate?
ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).