N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide

C20H30N2OS2 — CID 71755098

IUPACN-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide
SMILESO=C(CCCCC1CCSS1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2OS2/c23-20(9-5-4-8-19-12-15-24-25-19)21-18-10-13-22(14-11-18)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,21,23)
InChIKeyYEPHEPIDMVGMSV-UHFFFAOYSA-N
MW378.61 g/mol
LogP4.48
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide

N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide (PubChem CID 71755098) has the molecular formula C20H30N2OS2 and a molecular weight of 378.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide
PubChem CID71755098
Molecular FormulaC20H30N2OS2
Molecular Weight378.61 g/mol
Exact Mass378.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide
SMILESO=C(CCCCC1CCSS1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2OS2/c23-20(9-5-4-8-19-12-15-24-25-19)21-18-10-13-22(14-11-18)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,21,23)
InChIKeyYEPHEPIDMVGMSV-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-(dithiolan-3-yl)pentanamide
CID 142724857
1-(4-benzylpiperazin-1-yl)-5-[(3R)-dithiolan-3-yl]pentan-1-one
CID 96558420
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
4-[(2R)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-(1-benzylpiperidin-4-yl)butanamide
CID 171153752
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide (CID 71755098) is N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide is O=C(CCCCC1CCSS1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide?
The InChIKey is YEPHEPIDMVGMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS2/c23-20(9-5-4-8-19-12-15-24-25-19)21-18-10-13-22(14-11-18)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide?
N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide has a molecular weight of 378.61 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide is sourced from PubChem (CID 71755098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).