ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate

C17H22N4O4 — CID 51298973

IUPACethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1
InChIInChI=1S/C17H22N4O4/c1-2-25-17(24)20-11-9-19(10-12-20)15(22)13-3-5-14(6-4-13)21-8-7-18-16(21)23/h3-6H,2,7-12H2,1H3,(H,18,23)
InChIKeyXQOHYIKVDPPDIC-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.13
Rot. Bonds3

About ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate (PubChem CID 51298973) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate
PubChem CID51298973
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Nameethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1
InChIInChI=1S/C17H22N4O4/c1-2-25-17(24)20-11-9-19(10-12-20)15(22)13-3-5-14(6-4-13)21-8-7-18-16(21)23/h3-6H,2,7-12H2,1H3,(H,18,23)
InChIKeyXQOHYIKVDPPDIC-UHFFFAOYSA-N
XLogP1.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate (CID 51298973) is ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate?
The InChIKey is XQOHYIKVDPPDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-2-25-17(24)20-11-9-19(10-12-20)15(22)13-3-5-14(6-4-13)21-8-7-18-16(21)23/h3-6H,2,7-12H2,1H3,(H,18,23).
What are the key properties of ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 51298973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).