4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid

C14H22N4O3 — CID 22135613

IUPAC4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESCC(C)Oc1nccnc1NCC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-10(2)21-13-12(15-5-6-16-13)17-9-11-3-7-18(8-4-11)14(19)20/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyUJFNUUDVCYAGSQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.07
Rot. Bonds5

About 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid

4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 22135613) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID22135613
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESCC(C)Oc1nccnc1NCC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-10(2)21-13-12(15-5-6-16-13)17-9-11-3-7-18(8-4-11)14(19)20/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyUJFNUUDVCYAGSQ-UHFFFAOYSA-N
XLogP2.07
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid (CID 22135613) is 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid is CC(C)Oc1nccnc1NCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is UJFNUUDVCYAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)21-13-12(15-5-6-16-13)17-9-11-3-7-18(8-4-11)14(19)20/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22135613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).