calcium;hydride;N-piperazin-1-ylbutanamide

C8H19CaN3O — CID 175217940

IUPACcalcium;hydride;N-piperazin-1-ylbutanamide
SMILESCCCC(=O)NN1CCNCC1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H17N3O.Ca.2H/c1-2-3-8(12)10-11-6-4-9-5-7-11;;;/h9H,2-7H2,1H3,(H,10,12);;;/q;+2;2*-1
InChIKeyGLIGKWROJYASTR-UHFFFAOYSA-N
MW213.34 g/mol
LogP-0.43
Rot. Bonds3

About calcium;hydride;N-piperazin-1-ylbutanamide

calcium;hydride;N-piperazin-1-ylbutanamide (PubChem CID 175217940) has the molecular formula C8H19CaN3O and a molecular weight of 213.34 g/mol. Its IUPAC name is calcium;hydride;N-piperazin-1-ylbutanamide.

Molecular Properties

Compound Namecalcium;hydride;N-piperazin-1-ylbutanamide
PubChem CID175217940
Molecular FormulaC8H19CaN3O
Molecular Weight213.34 g/mol
Exact Mass213.12
IUPAC Namecalcium;hydride;N-piperazin-1-ylbutanamide
SMILESCCCC(=O)NN1CCNCC1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H17N3O.Ca.2H/c1-2-3-8(12)10-11-6-4-9-5-7-11;;;/h9H,2-7H2,1H3,(H,10,12);;;/q;+2;2*-1
InChIKeyGLIGKWROJYASTR-UHFFFAOYSA-N
XLogP-0.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;N-piperazin-1-ylbutanamide?
The IUPAC name of calcium;hydride;N-piperazin-1-ylbutanamide (CID 175217940) is calcium;hydride;N-piperazin-1-ylbutanamide.
What is the SMILES notation for calcium;hydride;N-piperazin-1-ylbutanamide?
The canonical SMILES for calcium;hydride;N-piperazin-1-ylbutanamide is CCCC(=O)NN1CCNCC1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;N-piperazin-1-ylbutanamide?
The InChIKey is GLIGKWROJYASTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.Ca.2H/c1-2-3-8(12)10-11-6-4-9-5-7-11;;;/h9H,2-7H2,1H3,(H,10,12);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;N-piperazin-1-ylbutanamide?
calcium;hydride;N-piperazin-1-ylbutanamide has a molecular weight of 213.34 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;N-piperazin-1-ylbutanamide is sourced from PubChem (CID 175217940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).