N-piperazin-1-ylbutanamide;zinc

C8H17N3OZn — CID 175211680

IUPACN-piperazin-1-ylbutanamide;zinc
SMILESCCCC(=O)NN1CCNCC1.[Zn]
InChIInChI=1S/C8H17N3O.Zn/c1-2-3-8(12)10-11-6-4-9-5-7-11;/h9H,2-7H2,1H3,(H,10,12);
InChIKeyKMDQBWQIVADBFA-UHFFFAOYSA-N
MW236.63 g/mol
LogP-0.28
Rot. Bonds3

About N-piperazin-1-ylbutanamide;zinc

N-piperazin-1-ylbutanamide;zinc (PubChem CID 175211680) has the molecular formula C8H17N3OZn and a molecular weight of 236.63 g/mol. Its IUPAC name is N-piperazin-1-ylbutanamide;zinc.

Molecular Properties

Compound NameN-piperazin-1-ylbutanamide;zinc
PubChem CID175211680
Molecular FormulaC8H17N3OZn
Molecular Weight236.63 g/mol
Exact Mass235.07
IUPAC NameN-piperazin-1-ylbutanamide;zinc
SMILESCCCC(=O)NN1CCNCC1.[Zn]
InChIInChI=1S/C8H17N3O.Zn/c1-2-3-8(12)10-11-6-4-9-5-7-11;/h9H,2-7H2,1H3,(H,10,12);
InChIKeyKMDQBWQIVADBFA-UHFFFAOYSA-N
XLogP-0.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-ylbutanamide;zinc?
The IUPAC name of N-piperazin-1-ylbutanamide;zinc (CID 175211680) is N-piperazin-1-ylbutanamide;zinc.
What is the SMILES notation for N-piperazin-1-ylbutanamide;zinc?
The canonical SMILES for N-piperazin-1-ylbutanamide;zinc is CCCC(=O)NN1CCNCC1.[Zn].
What is the InChIKey of N-piperazin-1-ylbutanamide;zinc?
The InChIKey is KMDQBWQIVADBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.Zn/c1-2-3-8(12)10-11-6-4-9-5-7-11;/h9H,2-7H2,1H3,(H,10,12);.
What are the key properties of N-piperazin-1-ylbutanamide;zinc?
N-piperazin-1-ylbutanamide;zinc has a molecular weight of 236.63 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-ylbutanamide;zinc is sourced from PubChem (CID 175211680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).