4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid

C13H24N4O3 — CID 68708073

IUPAC4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
SMILESNC(=O)CN1CCCC(CN2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C13H24N4O3/c14-12(18)10-16-3-1-2-11(9-16)8-15-4-6-17(7-5-15)13(19)20/h11H,1-10H2,(H2,14,18)(H,19,20)
InChIKeyJJBKAOFOZGIHCS-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.52
Rot. Bonds4

About 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid

4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid (PubChem CID 68708073) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
PubChem CID68708073
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
SMILESNC(=O)CN1CCCC(CN2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C13H24N4O3/c14-12(18)10-16-3-1-2-11(9-16)8-15-4-6-17(7-5-15)13(19)20/h11H,1-10H2,(H2,14,18)(H,19,20)
InChIKeyJJBKAOFOZGIHCS-UHFFFAOYSA-N
XLogP-0.52
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid (CID 68708073) is 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid is NC(=O)CN1CCCC(CN2CCN(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
The InChIKey is JJBKAOFOZGIHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c14-12(18)10-16-3-1-2-11(9-16)8-15-4-6-17(7-5-15)13(19)20/h11H,1-10H2,(H2,14,18)(H,19,20).
What are the key properties of 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68708073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).