2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid

C12H19N5O2 — CID 67136738

IUPAC2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESNc1cncc(N2CCC(CCNC(=O)O)CC2)n1
InChIInChI=1S/C12H19N5O2/c13-10-7-14-8-11(16-10)17-5-2-9(3-6-17)1-4-15-12(18)19/h7-9,15H,1-6H2,(H2,13,16)(H,18,19)
InChIKeyKNJUJWLWCMOTBN-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.93
Rot. Bonds4

About 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 67136738) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID67136738
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESNc1cncc(N2CCC(CCNC(=O)O)CC2)n1
InChIInChI=1S/C12H19N5O2/c13-10-7-14-8-11(16-10)17-5-2-9(3-6-17)1-4-15-12(18)19/h7-9,15H,1-6H2,(H2,13,16)(H,18,19)
InChIKeyKNJUJWLWCMOTBN-UHFFFAOYSA-N
XLogP0.93
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid (CID 67136738) is 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid is Nc1cncc(N2CCC(CCNC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is KNJUJWLWCMOTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-10-7-14-8-11(16-10)17-5-2-9(3-6-17)1-4-15-12(18)19/h7-9,15H,1-6H2,(H2,13,16)(H,18,19).
What are the key properties of 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 265.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67136738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).