[1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C18H28N6O3 — CID 89487731

IUPAC[1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3cnc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C18H28N6O3/c1-13(2)22-7-9-24(10-8-22)18(26)27-14-3-5-23(6-4-14)16-12-20-15(11-21-16)17(19)25/h11-14H,3-10H2,1-2H3,(H2,19,25)
InChIKeyYCVHLRCFFFNZGB-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.71
Rot. Bonds4

About [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487731) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487731
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name[1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3cnc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C18H28N6O3/c1-13(2)22-7-9-24(10-8-22)18(26)27-14-3-5-23(6-4-14)16-12-20-15(11-21-16)17(19)25/h11-14H,3-10H2,1-2H3,(H2,19,25)
InChIKeyYCVHLRCFFFNZGB-UHFFFAOYSA-N
XLogP0.71
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate 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 [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487731) is [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3cnc(C(N)=O)cn3)CC2)CC1.
What is the InChIKey of [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is YCVHLRCFFFNZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-13(2)22-7-9-24(10-8-22)18(26)27-14-3-5-23(6-4-14)16-12-20-15(11-21-16)17(19)25/h11-14H,3-10H2,1-2H3,(H2,19,25).
What are the key properties of [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-carbamoylpyrazin-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).