3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile

C10H17N3O — CID 43585403

IUPAC3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile
SMILESCC(C)N1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C10H17N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3,5-8H2,1-2H3
InChIKeyFWGHZYZWVWYEDI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.45
Rot. Bonds2

About 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile

3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile (PubChem CID 43585403) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile
PubChem CID43585403
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile
SMILESCC(C)N1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C10H17N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3,5-8H2,1-2H3
InChIKeyFWGHZYZWVWYEDI-UHFFFAOYSA-N
XLogP0.45
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile?
The IUPAC name of 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile (CID 43585403) is 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile is CC(C)N1CCN(C(=O)CC#N)CC1.
What is the InChIKey of 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile?
The InChIKey is FWGHZYZWVWYEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3,5-8H2,1-2H3.
What are the key properties of 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile?
3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile has a molecular weight of 195.27 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 3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 43585403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).