5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid

C18H28N4O2 — CID 122054244

IUPAC5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)C1CCC(N2CCN(c3cnc(C(=O)O)cn3)CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-13(2)14-3-5-15(6-4-14)21-7-9-22(10-8-21)17-12-19-16(11-20-17)18(23)24/h11-15H,3-10H2,1-2H3,(H,23,24)
InChIKeyBZGVPXULDAPRRU-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.51
Rot. Bonds4

About 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122054244) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122054244
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)C1CCC(N2CCN(c3cnc(C(=O)O)cn3)CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-13(2)14-3-5-15(6-4-14)21-7-9-22(10-8-21)17-12-19-16(11-20-17)18(23)24/h11-15H,3-10H2,1-2H3,(H,23,24)
InChIKeyBZGVPXULDAPRRU-UHFFFAOYSA-N
XLogP2.51
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122054244) is 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid is CC(C)C1CCC(N2CCN(c3cnc(C(=O)O)cn3)CC2)CC1.
What is the InChIKey of 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is BZGVPXULDAPRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)14-3-5-15(6-4-14)21-7-9-22(10-8-21)17-12-19-16(11-20-17)18(23)24/h11-15H,3-10H2,1-2H3,(H,23,24).
What are the key properties of 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).