2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide

C13H24N4O — CID 63338740

IUPAC2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-5-12(10-14)17-8-6-16(7-9-17)11(2)13(18)15(3)4/h11-12H,5-9H2,1-4H3
InChIKeyGFNPZUUZMIJXFO-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.38
Rot. Bonds4

About 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide

2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 63338740) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
PubChem CID63338740
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-5-12(10-14)17-8-6-16(7-9-17)11(2)13(18)15(3)4/h11-12H,5-9H2,1-4H3
InChIKeyGFNPZUUZMIJXFO-UHFFFAOYSA-N
XLogP0.38
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide (CID 63338740) is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide is CCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is GFNPZUUZMIJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-12(10-14)17-8-6-16(7-9-17)11(2)13(18)15(3)4/h11-12H,5-9H2,1-4H3.
What are the key properties of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide?
2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 63338740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).