N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide

C18H26N2O5S — CID 110299793

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESO=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H26N2O5S/c21-18(19-13-15-7-8-16-17(12-15)25-14-24-16)6-2-5-11-26(22,23)20-9-3-1-4-10-20/h7-8,12H,1-6,9-11,13-14H2,(H,19,21)
InChIKeyKKGWROVCGLWOSH-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.02
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide

N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110299793) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110299793
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESO=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H26N2O5S/c21-18(19-13-15-7-8-16-17(12-15)25-14-24-16)6-2-5-11-26(22,23)20-9-3-1-4-10-20/h7-8,12H,1-6,9-11,13-14H2,(H,19,21)
InChIKeyKKGWROVCGLWOSH-UHFFFAOYSA-N
XLogP2.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110615629
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26911264
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1252193
N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687848
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2989290
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 3242314
N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708
N-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-1-carbothioamide
CID 43384686
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide (CID 110299793) is N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide is O=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is KKGWROVCGLWOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c21-18(19-13-15-7-8-16-17(12-15)25-14-24-16)6-2-5-11-26(22,23)20-9-3-1-4-10-20/h7-8,12H,1-6,9-11,13-14H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 382.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110299793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).