4-(2-phenylpentanoyl)piperazine-1-sulfonamide

C15H23N3O3S — CID 56786878

IUPAC4-(2-phenylpentanoyl)piperazine-1-sulfonamide
SMILESCCCC(C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-2-6-14(13-7-4-3-5-8-13)15(19)17-9-11-18(12-10-17)22(16,20)21/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,20,21)
InChIKeyVZCJZJHETYLZGY-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.92
Rot. Bonds5

About 4-(2-phenylpentanoyl)piperazine-1-sulfonamide

4-(2-phenylpentanoyl)piperazine-1-sulfonamide (PubChem CID 56786878) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(2-phenylpentanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-phenylpentanoyl)piperazine-1-sulfonamide
PubChem CID56786878
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-(2-phenylpentanoyl)piperazine-1-sulfonamide
SMILESCCCC(C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-2-6-14(13-7-4-3-5-8-13)15(19)17-9-11-18(12-10-17)22(16,20)21/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,20,21)
InChIKeyVZCJZJHETYLZGY-UHFFFAOYSA-N
XLogP0.92
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 41081879
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 18289403
(2S)-1-(4-methylsulfonylpiperazin-1-yl)-2-phenylbutan-1-one
CID 1246525
1-[4-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 112765372
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
CID 55584335
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
2-phenyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55337932

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpentanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-phenylpentanoyl)piperazine-1-sulfonamide (CID 56786878) is 4-(2-phenylpentanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-phenylpentanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-phenylpentanoyl)piperazine-1-sulfonamide is CCCC(C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of 4-(2-phenylpentanoyl)piperazine-1-sulfonamide?
The InChIKey is VZCJZJHETYLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-6-14(13-7-4-3-5-8-13)15(19)17-9-11-18(12-10-17)22(16,20)21/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,20,21).
What are the key properties of 4-(2-phenylpentanoyl)piperazine-1-sulfonamide?
4-(2-phenylpentanoyl)piperazine-1-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpentanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 56786878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).