3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride

C9H19Cl2N3O2 — CID 134691013

IUPAC3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(N2CCNCC2)CCOC1
InChIInChI=1S/C9H17N3O2.2ClH/c10-8(13)9(1-6-14-7-9)12-4-2-11-3-5-12;;/h11H,1-7H2,(H2,10,13);2*1H
InChIKeyGFZBULABLLHXQX-UHFFFAOYSA-N
MW272.18 g/mol
LogP-0.62
Rot. Bonds2

About 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride

3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride (PubChem CID 134691013) has the molecular formula C9H19Cl2N3O2 and a molecular weight of 272.18 g/mol. Its IUPAC name is 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride
PubChem CID134691013
Molecular FormulaC9H19Cl2N3O2
Molecular Weight272.18 g/mol
Exact Mass271.09
IUPAC Name3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(N2CCNCC2)CCOC1
InChIInChI=1S/C9H17N3O2.2ClH/c10-8(13)9(1-6-14-7-9)12-4-2-11-3-5-12;;/h11H,1-7H2,(H2,10,13);2*1H
InChIKeyGFZBULABLLHXQX-UHFFFAOYSA-N
XLogP-0.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride?
The IUPAC name of 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride (CID 134691013) is 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1(N2CCNCC2)CCOC1.
What is the InChIKey of 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride?
The InChIKey is GFZBULABLLHXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.2ClH/c10-8(13)9(1-6-14-7-9)12-4-2-11-3-5-12;;/h11H,1-7H2,(H2,10,13);2*1H.
What are the key properties of 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride?
3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride has a molecular weight of 272.18 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 134691013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).