3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile

C15H26N4O — CID 106975624

IUPAC3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile
SMILESCCCC1(C(=O)N2CCN(CCC#N)CC2)CCCN1
InChIInChI=1S/C15H26N4O/c1-2-5-15(6-3-8-17-15)14(20)19-12-10-18(11-13-19)9-4-7-16/h17H,2-6,8-13H2,1H3
InChIKeyUQNIXJZISAUGFM-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.97
Rot. Bonds5

About 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile

3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile (PubChem CID 106975624) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile
PubChem CID106975624
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile
SMILESCCCC1(C(=O)N2CCN(CCC#N)CC2)CCCN1
InChIInChI=1S/C15H26N4O/c1-2-5-15(6-3-8-17-15)14(20)19-12-10-18(11-13-19)9-4-7-16/h17H,2-6,8-13H2,1H3
InChIKeyUQNIXJZISAUGFM-UHFFFAOYSA-N
XLogP0.97
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile (CID 106975624) is 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile is CCCC1(C(=O)N2CCN(CCC#N)CC2)CCCN1.
What is the InChIKey of 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is UQNIXJZISAUGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-5-15(6-3-8-17-15)14(20)19-12-10-18(11-13-19)9-4-7-16/h17H,2-6,8-13H2,1H3.
What are the key properties of 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile?
3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 278.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 106975624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).