1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one

C13H24N4O2 — CID 124688615

IUPAC1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)CN1CCNCC1=O
InChIInChI=1S/C13H24N4O2/c1-10(14)11-4-2-3-6-17(11)13(19)9-16-7-5-15-8-12(16)18/h10-11,15H,2-9,14H2,1H3/t10-,11+/m1/s1
InChIKeyBUEBPSNFYDTDIZ-MNOVXSKESA-N
MW268.36 g/mol
LogP-0.85
Rot. Bonds3

About 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one

1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 124688615) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID124688615
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)CN1CCNCC1=O
InChIInChI=1S/C13H24N4O2/c1-10(14)11-4-2-3-6-17(11)13(19)9-16-7-5-15-8-12(16)18/h10-11,15H,2-9,14H2,1H3/t10-,11+/m1/s1
InChIKeyBUEBPSNFYDTDIZ-MNOVXSKESA-N
XLogP-0.85
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 124688615) is 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one is C[C@@H](N)[C@@H]1CCCCN1C(=O)CN1CCNCC1=O.
What is the InChIKey of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is BUEBPSNFYDTDIZ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(14)11-4-2-3-6-17(11)13(19)9-16-7-5-15-8-12(16)18/h10-11,15H,2-9,14H2,1H3/t10-,11+/m1/s1.
What are the key properties of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 268.36 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 124688615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).