N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide

C18H29N3O3S — CID 110299885

IUPACN-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide
SMILESCN(C)c1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-20(2)17-11-9-16(10-12-17)19-18(22)8-4-7-15-25(23,24)21-13-5-3-6-14-21/h9-12H,3-8,13-15H2,1-2H3,(H,19,22)
InChIKeyXUEKAPDVFKKUIB-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.68
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide

N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110299885) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110299885
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide
SMILESCN(C)c1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-20(2)17-11-9-16(10-12-17)19-18(22)8-4-7-15-25(23,24)21-13-5-3-6-14-21/h9-12H,3-8,13-15H2,1-2H3,(H,19,22)
InChIKeyXUEKAPDVFKKUIB-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
CID 110299847
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299831
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342560
N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299836
3-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-3-oxopropanamide
CID 108952723
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902
N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844619
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299788
3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide (CID 110299885) is N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide is CN(C)c1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is XUEKAPDVFKKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-20(2)17-11-9-16(10-12-17)19-18(22)8-4-7-15-25(23,24)21-13-5-3-6-14-21/h9-12H,3-8,13-15H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide?
N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 367.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110299885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).