N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

C15H24N4O3S — CID 42438737

IUPACN-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESCCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-15(20)17-8-5-13-23(21,22)19-11-9-18(10-12-19)14-6-3-4-7-16-14/h3-4,6-7H,2,5,8-13H2,1H3,(H,17,20)
InChIKeyZDRSSJFXBXLPFU-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.45
Rot. Bonds7

About N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide (PubChem CID 42438737) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
PubChem CID42438737
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESCCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-15(20)17-8-5-13-23(21,22)19-11-9-18(10-12-19)14-6-3-4-7-16-14/h3-4,6-7H,2,5,8-13H2,1H3,(H,17,20)
InChIKeyZDRSSJFXBXLPFU-UHFFFAOYSA-N
XLogP0.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-(3-methylphenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439165
2-naphthalen-2-yloxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439142
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The IUPAC name of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide (CID 42438737) is N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide.
What is the SMILES notation for N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The canonical SMILES for N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide is CCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The InChIKey is ZDRSSJFXBXLPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-15(20)17-8-5-13-23(21,22)19-11-9-18(10-12-19)14-6-3-4-7-16-14/h3-4,6-7H,2,5,8-13H2,1H3,(H,17,20).
What are the key properties of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide is sourced from PubChem (CID 42438737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).