3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide

C13H24N4O — CID 63340023

IUPAC3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
SMILESCCCC(C#N)N1CCN(CCC(=O)NC)CC1
InChIInChI=1S/C13H24N4O/c1-3-4-12(11-14)17-9-7-16(8-10-17)6-5-13(18)15-2/h12H,3-10H2,1-2H3,(H,15,18)
InChIKeyQXJQEZHKTRQOET-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.43
Rot. Bonds6

About 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide

3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 63340023) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID63340023
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
SMILESCCCC(C#N)N1CCN(CCC(=O)NC)CC1
InChIInChI=1S/C13H24N4O/c1-3-4-12(11-14)17-9-7-16(8-10-17)6-5-13(18)15-2/h12H,3-10H2,1-2H3,(H,15,18)
InChIKeyQXJQEZHKTRQOET-UHFFFAOYSA-N
XLogP0.43
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide (CID 63340023) is 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide is CCCC(C#N)N1CCN(CCC(=O)NC)CC1.
What is the InChIKey of 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is QXJQEZHKTRQOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-12(11-14)17-9-7-16(8-10-17)6-5-13(18)15-2/h12H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide?
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 63340023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).