N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide

C15H23N3O3S — CID 32502208

IUPACN,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-16(2)22(20,21)18-12-10-17(11-13-18)15(19)9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyCDRHPOSRDILQEJ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.57
Rot. Bonds5

About N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide (PubChem CID 32502208) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
PubChem CID32502208
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-16(2)22(20,21)18-12-10-17(11-13-18)15(19)9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyCDRHPOSRDILQEJ-UHFFFAOYSA-N
XLogP0.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-methoxyphenyl)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505027
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
4-[4-(1,3-benzothiazol-2-yl)butanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32502992
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
4-[4-(4-bromophenyl)-4-oxobutanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006593
(1S,5S)-N,N-dimethyl-6-(3-phenylpropanoyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133119782
1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
CID 52687569
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide (CID 32502208) is N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide?
The InChIKey is CDRHPOSRDILQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-16(2)22(20,21)18-12-10-17(11-13-18)15(19)9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 32502208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).