3-amino-4-oxo-4-piperazin-1-ylbutanamide

C8H16N4O2 — CID 60846411

IUPAC3-amino-4-oxo-4-piperazin-1-ylbutanamide
SMILESNC(=O)CC(N)C(=O)N1CCNCC1
InChIInChI=1S/C8H16N4O2/c9-6(5-7(10)13)8(14)12-3-1-11-2-4-12/h6,11H,1-5,9H2,(H2,10,13)
InChIKeyLOPNPBWRPQMUGI-UHFFFAOYSA-N
MW200.24 g/mol
LogP-2.38
Rot. Bonds3

About 3-amino-4-oxo-4-piperazin-1-ylbutanamide

3-amino-4-oxo-4-piperazin-1-ylbutanamide (PubChem CID 60846411) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-4-oxo-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name3-amino-4-oxo-4-piperazin-1-ylbutanamide
PubChem CID60846411
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-amino-4-oxo-4-piperazin-1-ylbutanamide
SMILESNC(=O)CC(N)C(=O)N1CCNCC1
InChIInChI=1S/C8H16N4O2/c9-6(5-7(10)13)8(14)12-3-1-11-2-4-12/h6,11H,1-5,9H2,(H2,10,13)
InChIKeyLOPNPBWRPQMUGI-UHFFFAOYSA-N
XLogP-2.38
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-piperazin-1-ylbutanamide?
The IUPAC name of 3-amino-4-oxo-4-piperazin-1-ylbutanamide (CID 60846411) is 3-amino-4-oxo-4-piperazin-1-ylbutanamide.
What is the SMILES notation for 3-amino-4-oxo-4-piperazin-1-ylbutanamide?
The canonical SMILES for 3-amino-4-oxo-4-piperazin-1-ylbutanamide is NC(=O)CC(N)C(=O)N1CCNCC1.
What is the InChIKey of 3-amino-4-oxo-4-piperazin-1-ylbutanamide?
The InChIKey is LOPNPBWRPQMUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-6(5-7(10)13)8(14)12-3-1-11-2-4-12/h6,11H,1-5,9H2,(H2,10,13).
What are the key properties of 3-amino-4-oxo-4-piperazin-1-ylbutanamide?
3-amino-4-oxo-4-piperazin-1-ylbutanamide has a molecular weight of 200.24 g/mol, XLogP of -2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 60846411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).