4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

C13H20N4O — CID 68740274

IUPAC4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESNC(=O)CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H20N4O/c14-12(18)4-3-7-16-8-10-17(11-9-16)13-5-1-2-6-15-13/h1-2,5-6H,3-4,7-11H2,(H2,14,18)
InChIKeyNSDOLTWPTALALI-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.47
Rot. Bonds5

About 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (PubChem CID 68740274) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
PubChem CID68740274
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESNC(=O)CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H20N4O/c14-12(18)4-3-7-16-8-10-17(11-9-16)13-5-1-2-6-15-13/h1-2,5-6H,3-4,7-11H2,(H2,14,18)
InChIKeyNSDOLTWPTALALI-UHFFFAOYSA-N
XLogP0.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
CID 11131952
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
CID 164628176
4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide
CID 14183215
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CID 68740274) is 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is NC(=O)CCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is NSDOLTWPTALALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-12(18)4-3-7-16-8-10-17(11-9-16)13-5-1-2-6-15-13/h1-2,5-6H,3-4,7-11H2,(H2,14,18).
What are the key properties of 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 248.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 68740274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).