4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide

C15H20N4O — CID 68545719

IUPAC4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
SMILESN#Cc1ccccc1N1CCN(CCCC(N)=O)CC1
InChIInChI=1S/C15H20N4O/c16-12-13-4-1-2-5-14(13)19-10-8-18(9-11-19)7-3-6-15(17)20/h1-2,4-5H,3,6-11H2,(H2,17,20)
InChIKeyMKWUYVDPXCVCHG-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.95
Rot. Bonds5

About 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide

4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide (PubChem CID 68545719) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
PubChem CID68545719
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
SMILESN#Cc1ccccc1N1CCN(CCCC(N)=O)CC1
InChIInChI=1S/C15H20N4O/c16-12-13-4-1-2-5-14(13)19-10-8-18(9-11-19)7-3-6-15(17)20/h1-2,4-5H,3,6-11H2,(H2,17,20)
InChIKeyMKWUYVDPXCVCHG-UHFFFAOYSA-N
XLogP0.95
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-cyanophenyl)piperazin-1-yl]hexanoic acid
CID 69145059
3-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonic acid
CID 54529486
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile
CID 117028312
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]benzonitrile
CID 15788940
2-(4-pentanoylpiperazin-1-yl)benzonitrile
CID 113080796
2-[4-[4-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]benzonitrile;hydrochloride
CID 52942946
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzonitrile
CID 62923979

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide?
The IUPAC name of 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide (CID 68545719) is 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide.
What is the SMILES notation for 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide?
The canonical SMILES for 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide is N#Cc1ccccc1N1CCN(CCCC(N)=O)CC1.
What is the InChIKey of 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide?
The InChIKey is MKWUYVDPXCVCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-12-13-4-1-2-5-14(13)19-10-8-18(9-11-19)7-3-6-15(17)20/h1-2,4-5H,3,6-11H2,(H2,17,20).
What are the key properties of 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide?
4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 68545719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).