4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide

C16H26N4O3S — CID 70476420

IUPAC4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide
SMILESNC(CCCOc1cccc(CN2CCCCC2)c1)=NS(N)(=O)=O
InChIInChI=1S/C16H26N4O3S/c17-16(19-24(18,21)22)8-5-11-23-15-7-4-6-14(12-15)13-20-9-2-1-3-10-20/h4,6-7,12H,1-3,5,8-11,13H2,(H2,17,19)(H2,18,21,22)
InChIKeyNRDAICZVDQYRPH-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.39
Rot. Bonds8

About 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide

4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide (PubChem CID 70476420) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide.

Molecular Properties

Compound Name4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide
PubChem CID70476420
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide
SMILESNC(CCCOc1cccc(CN2CCCCC2)c1)=NS(N)(=O)=O
InChIInChI=1S/C16H26N4O3S/c17-16(19-24(18,21)22)8-5-11-23-15-7-4-6-14(12-15)13-20-9-2-1-3-10-20/h4,6-7,12H,1-3,5,8-11,13H2,(H2,17,19)(H2,18,21,22)
InChIKeyNRDAICZVDQYRPH-UHFFFAOYSA-N
XLogP1.39
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene
CID 70549733
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
1-amino-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
CID 12774390
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
CID 20567118
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755

Frequently Asked Questions

What is the IUPAC name of 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide?
The IUPAC name of 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide (CID 70476420) is 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide.
What is the SMILES notation for 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide?
The canonical SMILES for 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide is NC(CCCOc1cccc(CN2CCCCC2)c1)=NS(N)(=O)=O.
What is the InChIKey of 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide?
The InChIKey is NRDAICZVDQYRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c17-16(19-24(18,21)22)8-5-11-23-15-7-4-6-14(12-15)13-20-9-2-1-3-10-20/h4,6-7,12H,1-3,5,8-11,13H2,(H2,17,19)(H2,18,21,22).
What are the key properties of 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide?
4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide has a molecular weight of 354.48 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide is sourced from PubChem (CID 70476420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).