2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile

C11H17N3O — CID 62648220

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H17N3O/c12-4-5-13-6-8-14(9-7-13)11(15)10-2-1-3-10/h10H,1-3,5-9H2
InChIKeyUVDGUJQZXXGSLS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.45
Rot. Bonds2

About 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile (PubChem CID 62648220) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile
PubChem CID62648220
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H17N3O/c12-4-5-13-6-8-14(9-7-13)11(15)10-2-1-3-10/h10H,1-3,5-9H2
InChIKeyUVDGUJQZXXGSLS-UHFFFAOYSA-N
XLogP0.45
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile (CID 62648220) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile is N#CCN1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile?
The InChIKey is UVDGUJQZXXGSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-4-5-13-6-8-14(9-7-13)11(15)10-2-1-3-10/h10H,1-3,5-9H2.
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile has a molecular weight of 207.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 62648220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).