5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid

C17H22N4O4 — CID 122120035

IUPAC5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCNC(=O)C2CC2CCCCC2)cn1
InChIInChI=1S/C17H22N4O4/c22-15-14(8-11-4-2-1-3-5-11)21(7-6-18-15)16(23)12-9-20-13(10-19-12)17(24)25/h9-11,14H,1-8H2,(H,18,22)(H,24,25)
InChIKeyBKWXAYSAGFUHJW-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.09
Rot. Bonds4

About 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid

5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 122120035) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID122120035
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCNC(=O)C2CC2CCCCC2)cn1
InChIInChI=1S/C17H22N4O4/c22-15-14(8-11-4-2-1-3-5-11)21(7-6-18-15)16(23)12-9-20-13(10-19-12)17(24)25/h9-11,14H,1-8H2,(H,18,22)(H,24,25)
InChIKeyBKWXAYSAGFUHJW-UHFFFAOYSA-N
XLogP1.09
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid (CID 122120035) is 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)N2CCNC(=O)C2CC2CCCCC2)cn1.
What is the InChIKey of 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is BKWXAYSAGFUHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c22-15-14(8-11-4-2-1-3-5-11)21(7-6-18-15)16(23)12-9-20-13(10-19-12)17(24)25/h9-11,14H,1-8H2,(H,18,22)(H,24,25).
What are the key properties of 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122120035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).