N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide

C14H21N3O3S — CID 43130677

IUPACN-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCNCC1
InChIInChI=1S/C14H21N3O3S/c1-11(17-9-7-15-8-10-17)14(18)16-12-3-5-13(6-4-12)21(2,19)20/h3-6,11,15H,7-10H2,1-2H3,(H,16,18)
InChIKeySCFQYVMOWGSDIO-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.32
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide

N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide (PubChem CID 43130677) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
PubChem CID43130677
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCNCC1
InChIInChI=1S/C14H21N3O3S/c1-11(17-9-7-15-8-10-17)14(18)16-12-3-5-13(6-4-12)21(2,19)20/h3-6,11,15H,7-10H2,1-2H3,(H,16,18)
InChIKeySCFQYVMOWGSDIO-UHFFFAOYSA-N
XLogP0.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-[4-(2-hydroxyethyl)phenyl]-2-piperazin-1-ylpropanamide
CID 61237892
2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82795400
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
(2R)-2-(4-acetylpiperazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356723
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
2-methoxy-N-(4-methylsulfonylphenyl)propanamide
CID 47300837
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide (CID 43130677) is N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide is CC(C(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCNCC1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is SCFQYVMOWGSDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11(17-9-7-15-8-10-17)14(18)16-12-3-5-13(6-4-12)21(2,19)20/h3-6,11,15H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide?
N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43130677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).